SCHEMBL8558909

SCHEMBL8558909

CCOc1ccc2cc(OCC)c(OCC)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.54
KDM4E B2RXH2 2/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CYP1A2 P05177 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
CYP19A1 P11511 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL19612213 0.92 KDM4E (0.49) NQO1KDM4EAKR1C3AKR1C2CA12
SCHEMBL19612312 0.92 KDM4E (0.49) NQO1KDM4EAKR1C3AKR1C2CA12
SCHEMBL23458226 0.89 NQO1 (0.62) NQO1KDM4EAKR1C3AKR1C2CA12
SCHEMBL29779700 0.89 NQO1 (0.62) NQO1KDM4EAKR1C3AKR1C2CA12
SCHEMBL3821099 0.89 NQO1 (0.62) NQO1KDM4EAKR1C3AKR1C2CA12
SCHEMBL3825385 0.89 NQO1 (0.68) NQO1KDM4EAKR1C3AKR1C2CA12
SCHEMBL29629327 0.89 NQO1 (0.68) NQO1KDM4EAKR1C3AKR1C2CA12
SCHEMBL17912862 0.88 NQO1 (0.46) NQO1KDM4EAKR1C3AKR1C2CA12
SCHEMBL17912833 0.88 NQO1 (0.46) NQO1KDM4EAKR1C3AKR1C2CA12
SCHEMBL17912805 0.87 NQO1 (0.45) NQO1KDM4EAKR1C3AKR1C2CA12

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 16 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
US-4229274-A PHOTOINITIATOR, PHOTOSENSITIZER, QUENCHER, AND COMPOUNDS CONTAINING ACRYLYLOXY GROUPS PPG INDUSTRIES, INC. (US) 1980-10-21 US disclosed