SCHEMBL9307429

SCHEMBL9307429

CCCc1cc(CO)cc(Cl)c1OC(C(=O)OC)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.53
PPARG P37231 13/20 0.53

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
SCHEMBL9159728 0.95 PPARG (0.50) PPARAPPARG
SCHEMBL9307393 0.92 PPARA (0.52) PPARAPPARG
SCHEMBL9165348 0.86 PPARG (0.48) PPARAPPARG
SCHEMBL9165031 0.85 PPARG (0.41) PPARAPPARG
SCHEMBL9138986 0.83 EDNRA (0.52) PPARAPPARG
SCHEMBL9165323 0.81 PPARA (0.44) PPARA
SCHEMBL9168065 0.79 PPARG (0.40) PPARAPPARG
SCHEMBL9126457 0.79 PPARA (0.54) PPARAPPARG
SCHEMBL7331714 0.78 PPARG (0.49) PPARAPPARG
SCHEMBL9307631 0.78 EDNRB (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374638-A Cardiovascular disorders, hypotensive agents MERCK & CO., INC. (US) 1994-12-20 US disclosed