SCHEMBL27489487

SCHEMBL27489487

Cc1cccc(OC(=O)C(O)C(O)C(=O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP1 P29466 1/20 0.40
PPARG P37231 5/20 0.38
PPARA Q07869 5/20 0.38
PTGES O14684 4/20 0.38
ALOX5 P09917 4/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3632860 0.87 TDP1 (0.44) L3MBTL1ALDH1A1CYP1A2CASP1PPARG
Methyl Alcohol SCHEMBL27966192 0.85 ADRB2 (0.43) L3MBTL1ALDH1A1CYP1A2CASP1PPARG
Water SCHEMBL27298765 0.85 L3MBTL1 (0.43) L3MBTL1ALDH1A1CYP1A2CASP1PPARG
SCHEMBL27517150 0.80 CASP1 (0.42) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17502798 0.79 TDP1 (0.49) L3MBTL1ALDH1A1CYP1A2PPARGTDP1
SCHEMBL3939804 0.79 TDP1 (0.49) L3MBTL1ALDH1A1CYP1A2PPARGTDP1
SCHEMBL30605965 0.79 TDP1 (0.49) L3MBTL1ALDH1A1CYP1A2PPARGTDP1
SCHEMBL6537087 0.79 POLB (0.59) POLBMAPTL3MBTL1MEN1KMT2A
SCHEMBL28057308 0.78 POLB (0.46) POLBMAPTL3MBTL1MEN1KMT2A
SCHEMBL1837507 0.77 POLB (0.57) POLBMAPTL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105579457-A Substituted N-biphenyl-3-acetylamino-benzamides and N- [3- (acetylamino) phenyl ] -biphenyl-carboxamides and their use as WNT signaling pathway inhibitors Bayer Pharma AG 2016-05-11 CN disclosed
CN-105037326-A Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS INC 2015-11-11 CN disclosed
CN-102666491-B Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS INC 2015-06-24 CN disclosed
CN-103228642-B Crystalline forms of hydrochloride salt of (4a-,9a-s)-1-(1h-benzoimidazole-5-carbonyl)-2,3,4,4a,9,9a-hexahydro-1h-indeno[2,1-b]pyridine-6-carbonitrile and their use as HSD 1 inhibitors BOEHRINGER INGELHEIM INT 2015-02-18 CN disclosed
CN-103228642-A Crystalline forms of hydrochloride salt of (4a-,9a-s)-1-(1h-benzoimidazole-5-carbonyl)-2,3,4,4a,9,9a-hexahydro-1h-indeno[2,1-b]pyridine-6-carbonitrile and their use as HSD 1 inhibitors BOEHRINGER INGELHEIM INT 2013-07-31 CN disclosed
CN-102666491-A Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS INC 2012-09-12 CN disclosed
CN-101100443-B Process for preparing beta-amino-alpha-hydroxycarboxamides EVONIK DEGUSSA GMBH 2012-04-25 CN disclosed
CN-101641330-A Benzamide derivatives and process for preparing the same DONG A PHARM CO LTD KR 2010-02-03 CN disclosed
CN-101100443-A Process for preparing beta-amino-alpha-hydroxycarboxamides DEGUSSA (DE) 2008-01-09 CN disclosed
CN-1233180-A Treatment of the common cold or allergic rhinitis LILLY CO ELI (US) 1999-10-27 CN disclosed
CN-1123546-A 4-arylisoindole analgesics ORTHO PHARMA CORP (US) 1996-05-29 CN disclosed