SCHEMBL1131998

SCHEMBL1131998

C=CCOc1ccccc1C(=O)[O-].[Na+]

nearest known ligand 0.67

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
CA12 known ✓ O43570 1/20 0.41
CA1 known ✓ P00915 1/20 0.41
LIG1 P18858 1/20 0.67
KDM4E B2RXH2 2/20 0.54
CYP3A4 P08684 2/20 0.51
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 1/20 0.49
TSHR P16473 3/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PARP1 P09874 1/20 0.43
CASP1 P29466 1/20 0.43
SLC22A1 O15245 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL669636 0.97 LIG1 (0.67) LIG1KDM4ECYP3A4ADRB2ADRB1
SCHEMBL1889645 0.97 LIG1 (0.67) LIG1KDM4ECYP3A4ADRB2ADRB1
SCHEMBL7068224 0.97 LIG1 (0.67) LIG1KDM4ECYP3A4ADRB2ADRB1
Zinc Ion SCHEMBL2788244 0.97 LIG1 (0.67) LIG1KDM4ECYP3A4ADRB2ADRB1
SCHEMBL18259145 0.97 LIG1 (0.67) LIG1KDM4ECYP3A4ADRB2ADRB1
SCHEMBL1426602 0.97 LIG1 (0.67) LIG1KDM4ECYP3A4ADRB2ADRB1
SCHEMBL3798396 0.86 KDM4E (0.71) LIG1KDM4ECYP3A4ADRB2ADRB1
SCHEMBL9696302 0.86 LIG1 (0.71) LIG1KDM4ECYP3A4ADRB2ADRB1
SCHEMBL40310 0.84 LIG1 (0.69) LIG1KDM4ECYP3A4ADRB2ADRB1
SCHEMBL29519569 0.84 LIG1 (0.69) LIG1KDM4ECYP3A4ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115141674-B Extreme pressure antiwear lubricating oil and preparation method thereof 贝源新材料科技(广东)有限公司 2023-06-13 CN claimed
CN-115141674-A Extreme pressure antiwear lubricating oil and preparation method thereof 贝源新材料科技(广东)有限公司 2022-10-04 CN claimed
CN-116515543-B High-dispersion stable lubricating oil metal detergent and preparation method thereof 湖南鸿福实业有限公司 2024-04-02 CN disclosed
CN-116515543-A High-dispersion stable lubricating oil metal detergent and preparation method thereof 湖南鸿福实业有限公司 2023-08-01 CN disclosed
CN-116478748-A Preparation method of neutral salicylate detergent 中国石油天然气股份有限公司 2023-07-25 CN disclosed
CN-115141674-B Extreme pressure antiwear lubricating oil and preparation method thereof 贝源新材料科技(广东)有限公司 2023-06-13 CN disclosed
CN-115141674-A Extreme pressure antiwear lubricating oil and preparation method thereof 贝源新材料科技(广东)有限公司 2022-10-04 CN disclosed
CN-112574721-A Multi-effect environment-friendly glycol type automobile cooling liquid and preparation method thereof 江苏艾德露环保科技有限公司 2021-03-30 CN disclosed
CN-112538339-A Engine coolant 山东泰和水处理科技股份有限公司 2021-03-23 CN disclosed
EP-1819804-B1 Emulsifier blends for lubricating oils CHEMTURA CORP (US) 2011-02-16 EP disclosed
US-7585822-B2 blend of sodium sulfonate emulsifier selected from sodium synthethic sulfonates, sodium petroleum sulfonates or blends and at least one monoalkyl linear C14-C18 salicylate sodium salt; for preparing water-miscible concentrates of lubricating oils CROMPTON CORPORATION (US) 2009-09-08 US disclosed
EP-0207560-B1 GASOLINE COMPOSITION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-04-01 EP disclosed
US-5064545-A REACTING OIL SOLUBLE ORGANIC ACIDS WITH METAL OXIDES OR HYDROXIDES, BORIC ACID, AND PROMOTERS THE LUBRIZOL CORPORATION (US) 1991-11-12 US disclosed
EP-0295278-B1 A PROCESS FOR OVERBASING VIA METAL BORATE FORMATION The Lubrizol Corporation (US) 1991-05-08 EP disclosed
US-4987273-A REVERSE OSMOSIS SHELL OIL COMPANY (US) 1991-01-22 US disclosed
EP-0370555-A2 A process for the separation of a phenol SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-05-30 EP disclosed
EP-0295278-A1 A PROCESS FOR OVERBASING VIA METAL BORATE FORMATION. LUBRIZOL CORP (US) 1988-12-21 EP disclosed
US-4765800-A SUCCINIC ACID DERIVATIVE WITH HYDROCARBON SUBSTITUENT AS ADDITIVE SHELL OIL COMPANY (US) 1988-08-23 US disclosed
WO-1988004685-A2 A PROCESS FOR OVERBASING VIA METAL BORATE FORMATION THE LUBRIZOL CORPORATION (US) 1988-06-30 WO disclosed
EP-0207560-A1 Gasoline composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-01-07 EP disclosed