SCHEMBL416813

SCHEMBL416813

CCCc1cccc(C(=O)[O-])c1O.[Na+]

nearest known ligand 0.47

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 14)

geneUniProtsupporting neighboursconfidence
GABRA1 known ✓ P14867 1/20 0.44
GABRB2 known ✓ P47870 1/20 0.44
ALOX5 known ✓ P09917 1/20 0.38
PTGS2 known ✓ P35354 1/20 0.38
HMGB1 P09429 1/20 0.47
IAPP P10997 4/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
PRKCI P41743 1/20 0.44
LTB4R Q15722 3/20 0.41
LTB4R2 Q9NPC1 3/20 0.41
ELANE P08246 1/20 0.40
CTSG P08311 1/20 0.40

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
SCHEMBL11215357 0.97 HMGB1 (0.47) HMGB1IAPPKDM4EALDH1A1HPGD
SCHEMBL11214708 0.97 HMGB1 (0.47) HMGB1IAPPKDM4EALDH1A1HPGD
SCHEMBL1640151 0.90 IAPP (0.48) HMGB1IAPPKDM4EALDH1A1HPGD
SCHEMBL1640146 0.87 GABRA1 (0.59) HMGB1IAPPKDM4EALDH1A1HPGD
SCHEMBL8625728 0.87 IAPP (0.48) HMGB1IAPPGABRA1GABRB2ELANE
Zinc Ion SCHEMBL1999540 0.87 IAPP (0.48) HMGB1IAPPGABRA1GABRB2ELANE
SCHEMBL11123537 0.84 BID (0.52) IAPPKDM4EELANECTSGALOX5
SCHEMBL11125907 0.84 BID (0.52) IAPPKDM4EELANECTSGALOX5
SCHEMBL3517528 0.84 BID (0.52) IAPPKDM4EELANECTSGALOX5
SCHEMBL31372911 0.84 BID (0.52) IAPPKDM4EELANECTSGALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250041216-A1 Methotrexate Composition ROSEMONT PHARMACEUTICALS LTD (GB) 2025-02-06 US claimed
CN-116098978-B Chinese medicinal cream for treating psoriasis and preparation method thereof 北京斯利安药业有限公司 2024-07-19 CN claimed
US-11969503-B2 Methotrexate composition ROSEMONT PHARMACEUTICALS LTD (GB) 2024-04-30 US claimed
CN-114762655-B Oral cavity efficient nursing composition and preparation method and application thereof 广州赛葆力医疗器械有限公司 2024-04-02 CN claimed
CN-116942606-A Preparation method of lamotrigine suspension and dry suspension 上海奥科达医药科技股份有限公司 2023-10-27 CN claimed
US-20230233464-A1 Methotrexate Composition ROSEMONT PHARMACEUTICALS LTD (GB) 2023-07-27 US claimed
CN-116098978-A Chinese medicinal cream for treating psoriasis and preparation method thereof 北京斯利安药业有限公司 2023-05-12 CN claimed
CN-114948868-B Crystal form of lamotrigine hydrate, preparation method thereof and composition containing crystal form 上海奥科达医药科技股份有限公司 2023-04-14 CN claimed
CN-115400123-A Tizanidine liquid preparation and application thereof 四川科瑞德制药股份有限公司 2022-11-29 CN claimed
CN-112137940-B Compound sugarcane leaf toothpaste and preparation method thereof 广西中医药大学 2022-11-15 CN claimed
CN-1069520-C Breviscapine soft capsule and its production method KUNMING PHARMACEUTICAL CO LTD (CN) 2001-08-15 CN claimed
WO-2000050036-A1 STORAGE STABLE AMOXYCILLIN AND CLAVULANATE SUSPENSION COMPOSITION BIOVAIL INTERNATIONAL LTD. (US) 2000-08-31 WO claimed
EP-0793495-B1 FREEZE-DRIED ONDANSETRON COMPOSITIONS GLAXO WELLCOME INC (CA) 2000-05-31 EP claimed
US-6066629-A DRY POWDER; MIXTURE CONTAINING LACTAMASE INHIBITOR FUISZ TECHNOLOGIES LTD. (US) 2000-05-23 US claimed
US-6063802-A Ondansetron freeze-dried dosage form compositions for oral administration GLAXCO WELLCOME INC. (CA) 2000-05-16 US claimed
CN-1228958-A Bulleyaconitine A soft capsule and its production method KUNMING PHARMACEUTICAL CO LTD (CN) 1999-09-22 CN claimed
CN-1228959-A Breviscapine soft capsule and its production method KUNMING PHARMACEUTICAL CO LTD (CN) 1999-09-22 CN claimed
US-5955488-A ANTAGONIST OF 5-HYDROXYTRYPTAMINE FOR TREATMENT OF EMESIS GLAXO WELLCOME INC. (CA) 1999-09-21 US claimed
EP-0793495-A1 FREEZE-DRIED ONDANSETRON COMPOSITIONS GLAXO WELLCOME INC. (CA) 1997-09-10 EP claimed
WO-1996015785-A1 FREEZE-DRIED ONDANSETRON COMPOSITIONS GLAXO WELLCOME INC. (CA) 1996-05-30 WO claimed