SCHEMBL4465576

SCHEMBL4465576

CCCc1ccccc1C(=O)[O-].[Na+]

nearest known ligand 0.48

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 18)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.39
CA4 known ✓ P22748 1/20 0.39
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
LTB4R Q15722 3/20 0.44
LTB4R2 Q9NPC1 3/20 0.44
FOLH1 Q04609 1/20 0.43
LMNA P02545 1/20 0.41
KDR P35968 1/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Potassium Ion SCHEMBL23092060 0.96 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDLTB4RLTB4R2
SCHEMBL5954774 0.89 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDLTB4RLTB4R2
SCHEMBL8880369 0.87 LIPG (0.50) ALDH1A1KDM4EHPGDLMNATP53
SCHEMBL10424886 0.86 LIPG (0.53) ALDH1A1LMNATSHR
SCHEMBL11277830 0.86 LIPG (0.53) ALDH1A1LMNATSHR
SCHEMBL11803044 0.86 LIPG (0.53) ALDH1A1LMNATSHR
SCHEMBL8877744 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDLTB4RLTB4R2
SCHEMBL10877873 0.85 TSHR (0.43) ALDH1A1KDM4EHPGDFOLH1LMNA
SCHEMBL7148304 0.85 TSHR (0.43) ALDH1A1KDM4EHPGDFOLH1LMNA
SCHEMBL10547515 0.85 TSHR (0.43) ALDH1A1KDM4EHPGDFOLH1LMNA

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-115400123-B Tizanidine liquid preparation and application thereof 四川科瑞德制药股份有限公司 2025-04-11 CN claimed
CN-119656046-A Pet tooth-cleaning gel and preparation process thereof 江苏雅博动物健康科技有限责任公司 2025-03-21 CN claimed
CN-119257965-A Anti-aging composition and preparation method and application thereof 浙江来益美生物医药有限公司 2025-01-07 CN claimed
CN-118902986-A Silicone scar gel and preparation method thereof 太原爱乐医疗器械有限公司 2024-11-08 CN claimed
CN-118662463-A Ruimeazepam freeze-dried orally disintegrating tablet for sublingual mucosa delivery and preparation method thereof 莱默(北京)药业科技有限公司 2024-09-20 CN claimed
CN-118356389-A Toothpaste containing composite herbal plant extract and preparation method thereof 江西草珊瑚口腔护理用品有限公司 2024-07-19 CN claimed
CN-117180186-A Ebastine oral solution and preparation method thereof 北京万全德众医药生物技术有限公司 2023-12-08 CN claimed
CN-117098530-A enema preparation 英德克斯制药公司 2023-11-21 CN claimed
WO-2009135252-A1 TREATMENT OF FRUIT OR VEGETABLES WOBELEA PTY LIMITED (AU) 2009-11-12 WO claimed
CN-115400123-B Tizanidine liquid preparation and application thereof 四川科瑞德制药股份有限公司 2025-04-11 CN disclosed
CN-119656046-A Pet tooth-cleaning gel and preparation process thereof 江苏雅博动物健康科技有限责任公司 2025-03-21 CN disclosed
CN-119604270-A Comprising an antimicrobial agent accelerator composition 西姆莱斯股份公司 2025-03-11 CN disclosed
CN-119367307-A Olanzapine orally disintegrating tablet and preparation method thereof 北京哈三联科技有限责任公司 2025-01-28 CN disclosed
CN-114149323-B Processing method of nipagin ester 浙江圣效化学品有限公司 2025-01-21 CN disclosed
CN-117180186-A Ebastine oral solution and preparation method thereof 北京万全德众医药生物技术有限公司 2023-12-08 CN disclosed
CN-117098530-A enema preparation 英德克斯制药公司 2023-11-21 CN disclosed
CN-116637043-A Water-light solution composition and preparation method and application thereof 江苏扬子江医疗科技股份有限公司 2023-08-25 CN disclosed
CN-111956729-A Application of daylily extract in medicine for resisting puerperal mental syndrome 姜德建 2020-11-20 CN disclosed
WO-2009135252-A1 TREATMENT OF FRUIT OR VEGETABLES WOBELEA PTY LIMITED (AU) 2009-11-12 WO disclosed
US-5639922-A CONTACTING AROMATIC PRIMARY AND TERTIARY HYDROPEROXIDES MIXTURE OBTAINED BY OXIDATION OF ALKYLAROMATIC COMPOUNDS WITH AN ALKALI OR ALKALINE ORGANIC AROMATIC CARBOXYLIC ACID SALT, DECOMPOSING WITH ACID CATALYST FORMING ALKYL PHENOLS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-17 US disclosed