SCHEMBL8562919

SCHEMBL8562919

CCOc1ccc(OCC)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPK1 P28482 2/20 0.36
LTA4H P09960 2/20 0.36
TP53 P04637 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PSMB8 P28062 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL826487 0.85
SCHEMBL18067916 0.83 NQO1 (0.39) NQO1ALDH1A1TSHRTDP1HSD17B10
SCHEMBL15624566 0.83
SCHEMBL15352897 0.79 DAO (0.38) NQO1ALDH1A1TSHRTDP1HSD17B10
SCHEMBL10565399 0.79 NQO1 (0.36) NQO1ALDH1A1TSHRTDP1HSD17B10
SCHEMBL16901839 0.78 ALDH1A1 (0.46) NQO1ALDH1A1CYP3A4
SCHEMBL29954952 0.78 TSHR (0.42) NQO1ALDH1A1TSHRLTA4H
SCHEMBL7895818 0.76 ALDH1A1 (0.54) ALDH1A1TDP1KDM4EHPGDMAPT
SCHEMBL3053104 0.75 HPGD (0.39) ALDH1A1TSHRTDP1MAPK1NPC1
SCHEMBL5645214 0.73 MAPT (0.44) ALDH1A1HSD17B10KDM4EMAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756730-A Process for preparing analgesic compounds SANKYO COMPANY, LIMITED (JP) 1998-05-26 US disclosed
CN-1036004-C Process for preparing analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1997-10-01 CN disclosed
US-5656758-A AMIDATION OF AN AMINE-CONTAINING THIOMORPHOLINE OR PIPERAZINE COMPOUND SANKYO COMPANY, LIMITED (JP) 1997-08-12 US disclosed
CN-1034731-C Process for preparing analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1997-04-30 CN disclosed
US-5512567-A KAPPA-RECEPTOR AGONISTS SANKYO COMPANY, LIMITED (JP) 1996-04-30 US disclosed
CN-1030450-C Preparation of analgesic carboxylic acid amides derivative SANKYO CO (JP) 1995-12-06 CN disclosed
CN-1079741-A The preparation method of analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1993-12-22 CN disclosed
CN-1079740-A The preparation method of analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1993-12-22 CN disclosed
US-5270327-A Piperidine derivatives SANKYO COMPANY, LIMITED (JP) 1993-12-14 US disclosed
CN-1078461-A The preparation method of analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1993-11-17 CN disclosed
CN-1022185-C Process for preparing analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1993-09-22 CN disclosed
EP-0356247-B1 ANALGESIC CARBOXYLIC ACID AMIDE DERIVATIVES Sankyo Company Limited (JP) 1993-03-17 EP disclosed
US-5021413-A Analgesic thiomorpholins their preparation, and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
CN-1040791-A ANALGESIC CARBOXYLIC ACID AMIDE DERIVATIVES SANKYO CO (JP) 1990-03-28 CN disclosed
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 EP disclosed