SCHEMBL6936834

SCHEMBL6936834

CCOC(=O)C(Cc1ccc(OCCO/N=C(/C)c2ccc(-c3ccccn3)cc2)cc1)OCC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.47
PPARA Q07869 17/20 0.47
PPARD Q03181 8/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL6936836 1.00 PPARG (0.47) PPARGPPARAPPARDCYP1A2CYP2D6
SCHEMBL6933936 0.92 PPARA (0.55) PPARGPPARAPPARD
SCHEMBL6933926 0.92 PPARA (0.55) PPARGPPARAPPARD
SCHEMBL6939648 0.92 PPARG (0.46) PPARGPPARAPPARDCYP1A2CYP2D6
SCHEMBL6939650 0.92 PPARG (0.46) PPARGPPARAPPARDCYP1A2CYP2D6
SCHEMBL5609107 0.89 PPARG (0.42) PPARGPPARACYP1A2CYP2D6CYP19A1
SCHEMBL5609112 0.89 PPARG (0.42) PPARGPPARACYP1A2CYP2D6CYP19A1
SCHEMBL6934039 0.87 PPARG (0.43) PPARGPPARACYP1A2CYP2D6CYP19A1
SCHEMBL6934037 0.87 PPARG (0.43) PPARGPPARACYP1A2CYP2D6CYP19A1
SCHEMBL6938827 0.86 PPARG (0.44) PPARGPPARACYP1A2CYP2D6CYP19A1

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