SCHEMBL6937238

SCHEMBL6937238

COC(=O)C(Cc1ccc(OCCO/N=C(/C)c2ccc(-c3ccccn3)cc2)cc1)Sc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.44
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARA Q07869 6/20 0.38
PPARD Q03181 5/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
UGT1A1 P22309 2/20 0.36
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36
SLCO2B1 O94956 1/20 0.36
ABCB11 O95342 1/20 0.36
ABCB1 P08183 1/20 0.36
CCKAR P32238 1/20 0.36
OPRK1 P41145 1/20 0.36
GHSR Q92847 1/20 0.36

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
SCHEMBL6937241 1.00 PPARG (0.44) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6939444 0.93 PPARG (0.46) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6936711 0.93 PPARG (0.46) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6936009 0.85 PPARG (0.47) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6936011 0.85 PPARG (0.47) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6714898 0.84 PPARG (0.46) PPARGF2F10PRSS1
SCHEMBL6939474 0.84 PPARG (0.46) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6939476 0.84 PPARG (0.46) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6934039 0.83 PPARG (0.43) PPARGCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6934037 0.83 PPARG (0.43) PPARGCYP1A2CYP2D6CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916651-B1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES SANKYO CO (JP) 2003-10-15 EP disclosed
US-6103907-A ALDOSE REDUCTASE INHIBITING ANTIDIABETIC AGENT SANKYO COMPANY, LIMITED (JP) 2000-08-15 US disclosed
EP-0916651-A1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 1999-05-19 EP disclosed