SCHEMBL8377553

SCHEMBL8377553

CC(C)c1ccccc1C(=O)[O-].[Na+]

nearest known ligand 0.54

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
GABRA1 known ✓ P14867 3/20 0.46
GABRB2 known ✓ P47870 2/20 0.46
CA2 known ✓ P00918 2/20 0.43
GABRB1 known ✓ P18505 2/20 0.43
CA1 known ✓ P00915 1/20 0.43
GABRG2 known ✓ P18507 1/20 0.43
PTGS1 known ✓ P23219 1/20 0.43
GABRB3 known ✓ P28472 1/20 0.43
GABRA5 known ✓ P31644 1/20 0.43
GABRA3 known ✓ P34903 1/20 0.43
GABRA2 known ✓ P47869 1/20 0.43
GABRA4 known ✓ P48169 1/20 0.43
GABRA6 known ✓ Q16445 1/20 0.43
CA4 known ✓ P22748 1/20 0.43
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
SLC6A2 P23975 3/20 0.43
LMNA P02545 2/20 0.43
BLM P54132 2/20 0.43

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
SCHEMBL28431012 0.86 ALDH1A1 (0.48) HPGDKDM4EALDH1A1GABRA1GABRB2
SCHEMBL8882014 0.84 GABRA1 (0.57) HPGDKDM4EALDH1A1GABRA1GABRB2
SCHEMBL8878918 0.84 HPGD (0.42) HPGDKDM4EALDH1A1GABRA1GABRB2
SCHEMBL8879320 0.84 HPGD (0.42) HPGDKDM4EALDH1A1GABRA1GABRB2
SCHEMBL8878971 0.84 ALDH1A1 (0.47) HPGDKDM4EALDH1A1CA2LMNA
SCHEMBL8879443 0.83 TSHR (0.53) HPGDKDM4EALDH1A1BLMTSHR
Zinc Ion SCHEMBL10763297 0.80 GABRA1 (0.57) HPGDKDM4EALDH1A1GABRA1GABRB2
SCHEMBL11216211 0.80 GABRA1 (0.57) HPGDKDM4EALDH1A1GABRA1GABRB2
Potassium Ion SCHEMBL343202 0.80 GABRA1 (0.42) HPGDKDM4EALDH1A1GABRA1GABRB2
SCHEMBL9864537 0.79 GABRA1 (0.52) HPGDALDH1A1GABRA1GABRB2SLC6A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905264-A1 Recovery of precious metal HENKEL CORPORATION (US) 1999-03-31 EP claimed
EP-0630418-A1 RECOVERY OF PRECIOUS METAL HENKEL CORPORATION (US) 1994-12-28 EP claimed
US-5340380-A Using ion exchange resin with guanidine funcionality, eluting with caustic containing acid salt modifiers; gold and silver HENKEL CORPORATION (US) 1994-08-23 US claimed
WO-1993019212-A2 RECOVERY OF PRECIOUS METAL HENKEL CORPORATION (US) 1993-09-30 WO claimed
EP-0905264-A1 Recovery of precious metal HENKEL CORPORATION (US) 1999-03-31 EP 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
US-5340380-A Using ion exchange resin with guanidine funcionality, eluting with caustic containing acid salt modifiers; gold and silver HENKEL CORPORATION (US) 1994-08-23 US disclosed