SCHEMBL6933885

SCHEMBL6933885

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.57
PPARA Q07869 15/20 0.57
PPARD Q03181 10/20 0.57
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6933889 1.00 PPARG (0.57) PPARGPPARAPPARDCYP1A2CYP2D6
SCHEMBL6934116 0.92 PPARG (0.53) PPARGPPARAPPARD
SCHEMBL6934112 0.92 PPARG (0.53) PPARGPPARAPPARD
SCHEMBL6933926 0.91 PPARA (0.55) PPARGPPARAPPARD
SCHEMBL6934171 0.91 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL6933936 0.91 PPARA (0.55) PPARGPPARAPPARD
SCHEMBL6934173 0.91 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL6936503 0.90 PPARG (0.49) PPARGPPARAPPARDCYP1A2CYP2D6
SCHEMBL6936505 0.90 PPARG (0.49) PPARGPPARAPPARDCYP1A2CYP2D6
SCHEMBL5609777 0.90 PPARG (0.53) PPARGPPARAPPARD

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

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