SCHEMBL8218798

SCHEMBL8218798

COc1cccc(CC(=O)[O-])c1.[Na+]

nearest known ligand 0.60

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 17)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.60
CYP1A2 P05177 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MMP13 P45452 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.52
IDO1 P14902 2/20 0.51
AGXT P21549 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
CMA1 P23946 1/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
USP2 O75604 1/20 0.51
SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL4071390 0.85 CTBP2 (0.64) CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2
SCHEMBL6670971 0.84 CTBP2 (0.68) CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2
SCHEMBL229067 0.84 PTGS1 (0.67) CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2
SCHEMBL29824310 0.84 PTGS1 (0.67) CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2
SCHEMBL269177 0.84 CTBP2 (0.62) CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2
SCHEMBL15513856 0.84 CTBP2 (0.62) CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2
SCHEMBL7638956 0.83 CTBP2 (0.57) CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2
SCHEMBL378705 0.82 SMN1; SMN2 (0.61) CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2
SCHEMBL4684338 0.82 CTBP2 (0.60) CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2
SCHEMBL9270419 0.82 CTBP2 (0.60) CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6015792-A Specific eatable taste modifiers BIORESEARCH, INC. (US) 2000-01-18 US disclosed
US-6008250-A Specific eatable taste modifiers BIORESEARCH, INC. (US) 1999-12-28 US disclosed
US-5866608-A AROMATIC COMPOUNDS BIORESEARCH, INC. (US) 1999-02-02 US disclosed
US-5703053-A TASTELESS INGESTIBLE COMPOUNDS WHICH REDUCE OR ELIMINATE UNDESIRABLE TASTES IN EATABLES BIORESEARCH, INC. (US) 1997-12-30 US disclosed
US-5700792-A Specific eatable taste modifiers BIORESEARCH, INC. (US) 1997-12-23 US disclosed
US-5665755-A NAPHTHO(1,2-D)IMIDAZOLE-5-SULFONATES (TASTANDS) USED TO REDUCE BITTER OR METALLIC TASTES; FOODS, DRUGS, ARTIFICIAL SWEETENERS; POTASSIUM CHLORIDE BIORESEARCH INC. (US) 1997-09-09 US disclosed
US-5654311-A TASTANDS OF PYRIMIDINE DERIVATIVES, E.G. OROTIC ACID, TO REDUCE OR ELIMINATE A BITTER OR METALLIC TASTE; FOODS; DRUGS; SWEETENERS; POTASSIUM CHLORIDE BIORESEARCH INC. (US) 1997-08-05 US disclosed
US-5650403-A PURINE-BASED COMPOUNDS (TASTANDS, E.G. IOSINE, GUANOSINE AND XANTHINE-5'-PHOSPHATE) USED TO REDUCE OR ELIMINATE A BITTER OR METALLIC TASTE; FOODS; DRUGS; ARTIFICIAL SWEETENERS; POTASSIUM CHLORIDE BIORESEARCH, INC. (US) 1997-07-22 US disclosed
US-5646122-A COMPOUNDS (TASTANDS, E.G. A DIPEPTIDE CONTAINING TAURINE AND/OR ALANINE) USED TO REDUCE OR ELIMINATE A BITTER OR METALLIC TASTE; FOODS; DRUGS; ARTIFICIAL SWEETENERS; POTASSIUM CHLORIDE BIORESEARCH, INC. (US) 1997-07-08 US disclosed
US-5643941-A PYRAN, THIOPYRAN AND CYCLOHEXANE DERIVATIVES (E.G. GLYCOSIDES AND INOSITOL, QUERCITOL) TO REDUCE OR ELIMINATE A BITTER OR METALLIC TASTE; FOODS, DRUGS; SWEETENERS; POTASSIUM CHLORIDE BIORESEARCH, INC. (US) 1997-07-01 US disclosed
US-5631294-A PHENOXY- OR PHENYL-ALKANOIC ACIDS BIORESEARCH, INC. (US) 1997-05-20 US disclosed
US-5631038-A COMPOUNDS (TASTANDS) TO REDUCE OR ELIMINATE A BITTER OR METALLIC TASTE ARE ADDED TO FOODS CONTAINING SODIUM CHLORIDE BIORESEARCH, INC. (US) 1997-05-20 US disclosed
US-5631295-A 2-(4-METHOXYPHENOXY)PROPIONIC ACID, TAURINE, ASPARTYLPHENYL ALANINE, ASPARTYLTYROSINE AND DIHYDROXYBENZOIC ACID BIORESEARCH, INC. (US) 1997-05-20 US disclosed
US-5631240-A KETONE BIORESEARCH, INC. (US) 1997-05-20 US disclosed
US-5631299-A TAURINE OR AN ACCEPTABLE SALT (A TASTAND) TO REDUCE OR ELIMINATE A BITTER OR METALLIC TASTE; FOODS; DRUGS; SWEETENERS; POTASSIUM CHLORIDE BIORESEARCH, INC. (US) 1997-05-20 US disclosed
US-5631252-A Specific eatable taste modifiers BIORESEARCH, INC. (US) 1997-05-20 US disclosed
US-5631231-A COMPOUNDS (TASTANDS, E.G., DIPEPTIDES) TO REDUCE OR ELIMINATE A BITTER OR METALLIC TASTE; FOODS; DRUGS; SWEETENERS; POTASSIUM CHLORIDE BIORESEARCH, INC. (US) 1997-05-20 US disclosed
EP-0661932-A4 SPECIFIC EATABLE TASTE MODIFIERS. BIORESEARCH INC (US) 1996-06-05 EP disclosed
EP-0661932-A1 SPECIFIC EATABLE TASTE MODIFIERS BIORESEARCH, INC. (US) 1995-07-12 EP disclosed
WO-1993010677-A1 SPECIFIC EATABLE TASTE MODIFIERS BIORESEARCH, INC. (US) 1993-06-10 WO disclosed