SCHEMBL28910818

SCHEMBL28910818

O=C([O-])COc1ccccc1Cl.[Na+]

nearest known ligand 0.64

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ POLB P06746 5/20 0.54
▸ RAB9A P51151 5/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ HPGD P15428 3/20 0.53
▸ TP53 P04637 2/20 0.53
▸ RXRA P19793 1/20 0.53
▸ RXRB P28702 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ PKM P14618 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ SENP2 Q9HC62 1/20 0.51
▸ SENP1 Q9P0U3 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL101520 0.81 PTGDR2 (0.68) MEN1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL3254718 0.81 MEN1 (0.58) MEN1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL6606365 0.79 GAA (0.54) RAB9ASMN1; SMN2MAPTHPGDTSHR
SCHEMBL5523413 0.79 KMT2A (0.57) MEN1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL9199751 0.79 MEN1 (0.57) MEN1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL28178693 0.79 PTGDR2 (0.66) MEN1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL1032879 0.79 KDM4E (0.61) MEN1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL28131537 0.79 PTGDR2 (0.66) MEN1KMT2APOLBRAB9ASMN1; SMN2
2,4-Dichlorophenoxyacetic Acid SCHEMBL29364305 0.79 TDP1 (0.70) MEN1KMT2APOLBRAB9ASMN1; SMN2
2,4-Dichlorophenoxyacetic Acid SCHEMBL569391 0.79 TDP1 (0.70) MEN1KMT2APOLBRAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116098152-B Buckwheat stress-resistant lodging-resistant yield-increasing regulator and preparation method and application thereof 中国农业科学院作物科学研究所 2025-03-07 — — CN claimed
CN-117562058-A Plant regulator for promoting fruit setting of winter jujube tree in flowering phase and regulating growth and development of young fruits 沧州市农林科学院 2024-02-20 — — CN claimed
CN-116098152-A Buckwheat stress-resistant lodging-resistant yield-increasing regulator and preparation method and application thereof 中国农业科学院作物科学研究所 2023-05-12 — — CN claimed
CN-113173844-B Preparation method of 2-methyl-4-chlorophenoxyacetic acid 宁夏格瑞精细化工有限公司 2023-04-14 — — CN claimed
CN-112741097-B Herbicidal compositions comprising N- (1, 3, 4-oxadiazol-2-yl) arylcarboxamides and their use 江苏清原农冠杂草防治有限公司 2022-11-29 — — CN claimed
CN-113115770-B Fresh cut flower preservative 河北农业大学 2022-09-23 — — CN claimed
CN-217124869-U Portable detection vehicle for detecting 4-chlorophenoxy sodium acetate in bean sprouts 安徽创佳安全环境科技有限公司 2022-08-05 — — CN claimed
CN-110618212-B Method for simultaneously detecting residual quantity of multiple plant growth regulators in vegetables 山东拜尔检测股份有限公司 2022-04-12 — — CN claimed
CN-111820225-B Herbicidal composition containing 3-aryl-6-trifluoromethylpyridazinol compound and application thereof 江苏清原农冠杂草防治有限公司 2022-04-05 — — CN claimed
CN-111820224-B Herbicidal composition containing trifluoromethyl pyridazinol compound and application thereof 江苏清原农冠杂草防治有限公司 2022-04-05 — — CN claimed
CN-118703349-B Plant growth regulator degradation strain DL-D2 and application thereof 上海信诺佰世医学检验有限公司 2025-03-14 — — CN disclosed
CN-116098152-B Buckwheat stress-resistant lodging-resistant yield-increasing regulator and preparation method and application thereof 中国农业科学院作物科学研究所 2025-03-07 — — CN disclosed
CN-119111559-A Pesticide composition and preparation for protecting flowers and fruits and application of pesticide composition and preparation 四川国光农化股份有限公司 2024-12-13 — — CN disclosed
CN-118703349-A Plant growth regulator degradation strain DL-D2 and application thereof 上海信诺佰世医学检验有限公司 2024-09-27 — — CN disclosed
CN-116824979-A Anti-corrosion fresh-keeping trademark sticker and preparation method and application thereof 暨南大学 2023-09-29 — — CN disclosed
CN-110618212-B Method for simultaneously detecting residual quantity of multiple plant growth regulators in vegetables 山东拜尔检测股份有限公司 2022-04-12 — — CN disclosed
CN-110618212-B Method for simultaneously detecting residual quantity of multiple plant growth regulators in vegetables 山东拜尔检测股份有限公司 2022-04-12 — — CN disclosed
CN-216219344-U Novel bean sprout growing machine 山东科发豆制品设备有限公司 2022-04-08 — — CN disclosed
CN-111820225-B Herbicidal composition containing 3-aryl-6-trifluoromethylpyridazinol compound and application thereof 江苏清原农冠杂草防治有限公司 2022-04-05 — — CN disclosed
CN-111820224-B Herbicidal composition containing trifluoromethyl pyridazinol compound and application thereof 江苏清原农冠杂草防治有限公司 2022-04-05 — — CN disclosed
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