SCHEMBL9258159

SCHEMBL9258159

CCCc1cccc(COC=O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
KAT6A Q92794 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
ALOX5 P09917 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL9249594 0.90 XIAP (0.43)
SCHEMBL11394076 0.87 MAOB (0.39) MAOAMAOB
SCHEMBL9256367 0.85 SOD1 (0.40) MAOAMAOB
SCHEMBL9259004 0.81 THRB (0.44)
Ethoxycarbonyl Group SCHEMBL27897794 0.80 DRD2 (0.50) CHRM2CHRM1CHRM3DRD2DRD1
SCHEMBL380954 0.78 CNR1 (0.50) DRD2DRD1DRD4DRD5DRD3
SCHEMBL15723548 0.78 MRGPRX4 (0.45) MAOAMAOB
SCHEMBL1822742 0.78 IDO1 (0.58) MAOAMAOB
SCHEMBL14327857 0.77 CNR1 (0.39) CHRM2CHRM1CHRM3KAT6ADRD2
SCHEMBL9544860 0.77 FFAR1 (0.41) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0273599-A1 Process for preparing 2beta-substituted-methyl-penicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-07-06 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