SCHEMBL6064041

SCHEMBL6064041

CCCCC(CC)C[O-].CCCCC(CC)C[O-].[Ca+2]

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 4/20 0.52
TSHR P16473 4/20 0.52
CA2 P00918 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL15462 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
Potassium Ion SCHEMBL3291106 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
Lithium Ion SCHEMBL1461667 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL9417628 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL9417629 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL673226 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL362089 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL1025105 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL1449865 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
Zinc Ion SCHEMBL768293 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087549-B2 Calcium-based catalyst system THE GOODYEAR TIRE & RUBBER COMPANY (US) 2006-08-08 US claimed
US-20050181935-A1 Calcium-based catalyst system THE GOODYEAR TIRE & RUBBER COMPANY 2005-08-18 US claimed
EP-0990670-B1 Calcium-based catalyst system GOODYEAR TIRE & RUBBER (US) 2004-11-03 EP claimed
US-20020045720-A1 Calcium-based catalyst system THE GOODYEAR TIRE & RUBBER COMPANY 2002-04-18 US claimed
US-6359088-B1 COPOLYMERIZING STYRENE AND 1,3-BUTADIENE IN AN ORGANIC SOLVENT IN THE PRESENCE OF CATALYST SYSTEM WHICH CONSISTS ESSENTIALLY OF AN ORGANOLITHIUM COMPOUND, A CALCIUM ALKOXIDE AND A LITHIUM ALKOXIDE THE GOODYEAR TIRE & RUBBER COMPANY 2002-03-19 US claimed
EP-0990670-A1 Calcium-based catalyst system THE GOODYEAR TIRE & RUBBER COMPANY (US) 2000-04-05 EP claimed
JP-1263142-A None JP disclosed
JP-62263248-A None JP disclosed
WO-2024122372-A1 ELASTIC FIBER TREATMENT AGENT AND USE THEREOF 松本油脂製薬株式会社 2024-06-13 WO disclosed
WO-2024090138-A1 ELASTIC FIBER TREATMENT AGENT AND USE THEREOF 松本油脂製薬株式会社 2024-05-02 WO disclosed
WO-2023181744-A1 ELASTIC FIBER TREATMENT AGENT AND USE FOR SAME 松本油脂製薬株式会社 2023-09-28 WO disclosed
EP-3233782-B1 CATALYTIC OXIDATION OF HYDROCARBONS LUBRIZOL CORP (US) 2022-02-02 EP disclosed
WO-2019163585-A1 ELASTIC FIBER TREATMENT AGENT AND USE THEREOF 松本油脂製薬株式会社 2019-08-29 WO disclosed
US-20050181935-A1 Calcium-based catalyst system THE GOODYEAR TIRE & RUBBER COMPANY 2005-08-18 US disclosed
EP-0990670-B1 Calcium-based catalyst system GOODYEAR TIRE & RUBBER (US) 2004-11-03 EP disclosed
US-20020045720-A1 Calcium-based catalyst system THE GOODYEAR TIRE & RUBBER COMPANY 2002-04-18 US disclosed
US-6359088-B1 COPOLYMERIZING STYRENE AND 1,3-BUTADIENE IN AN ORGANIC SOLVENT IN THE PRESENCE OF CATALYST SYSTEM WHICH CONSISTS ESSENTIALLY OF AN ORGANOLITHIUM COMPOUND, A CALCIUM ALKOXIDE AND A LITHIUM ALKOXIDE THE GOODYEAR TIRE & RUBBER COMPANY 2002-03-19 US disclosed
EP-0990670-A1 Calcium-based catalyst system THE GOODYEAR TIRE & RUBBER COMPANY (US) 2000-04-05 EP disclosed
JP-H01263142-A VINYL CHLORIDE RESIN COMPOSITION CHISSO CORP 1989-10-19 JP disclosed
JP-S62263248-A CHLORINE-CONTAINING RESIN COMPOSITION HAVING IMPROVED PROCESSABILITY AND STABILITY NITTO KASEI KK 1987-11-16 JP disclosed