SCHEMBL6949336

SCHEMBL6949336

CCc1ccc(CO[C]=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SOD1 P00441 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP2C19 P33261 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
MGLL Q99685 2/20 0.36
PLK1 P53350 1/20 0.36
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL9258996 0.83 CA2 (0.42) ALDH1A1CA2SMN1; SMN2LPLLIPG
SCHEMBL513841 0.82 AGXT (0.52) CYP2A6ALDH1A1CA2TAAR1MAPT
SCHEMBL2090223 0.79 ALDH1A1 (0.47) ALDH1A1CA2TP53SMN1; SMN2PLK1
SCHEMBL10902822 0.79 DHFR (0.37) SOD1
SCHEMBL9256358 0.79 SOD1 (0.43) CYP2A6ALDH1A1SOD1TDP1TP53
SCHEMBL208838 0.79 NQO1 (0.54) ALDH1A1TDP1CA2SMN1; SMN2LMNA
SCHEMBL3092949 0.79 IDO1 (0.50) ALDH1A1CA2TAAR1CYP2C19KMT2A
SCHEMBL6341 0.78 IDO1 (0.55) CA2TAAR1SMN1; SMN2NPC1RAB9A
SCHEMBL5543889 0.78 CA1 (0.61) ALDH1A1TDP1CA2SMN1; SMN2LMNA
SCHEMBL8816 0.77 IDO1 (0.52) ALDH1A1CA2TAAR1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177168-A4 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2003-06-25 EP claimed
JP-2002541237-A 2002-12-03 JP claimed
EP-1177168-A1 CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-02-06 EP claimed
WO-2000061542-A1 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2000-10-19 WO claimed
EP-1177168-A4 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2003-06-25 EP disclosed
EP-1177168-A1 CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-02-06 EP disclosed
WO-2000061542-A1 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2000-10-19 WO disclosed
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0331394-B1 PROCESS FOR PREPARING 2 BETA-SUBSTITUTED-METHYLPENICILLIN DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1993-08-04 EP disclosed
EP-0272016-B1 2BETA-SUBSTITUTED-METHYLPENICILLANIC ACID DERIVATIVES, AND SALTS AND ESTERS THEREOF TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-04-08 EP disclosed
EP-0273599-B1 PROCESS FOR PREPARING 2BETA-SUBSTITUTED-METHYL-PENICILLIN DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-04-01 EP disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed
US-4933444-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-06-12 US disclosed
US-4898939-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US disclosed
US-4891369-A BETA-LACTAMASE INHIBITORS TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1990-01-02 US disclosed
EP-0331394-A1 Process for preparing 2 beta-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1989-09-06 EP disclosed
EP-0272016-A1 2beta-substituted-methylpenicillanic acid derivatives, and salts and esters thereof TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-06-22 EP disclosed