SCHEMBL9614490

SCHEMBL9614490

CC(CCCC(C(=O)O)S(=O)(=O)CCc1ccccc1)Oc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.53
PPARG P37231 18/20 0.53
EPHX2 P34913 1/20 0.39

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
SCHEMBL9614372 0.92 PPARG (0.41) PPARAPPARG
SCHEMBL9858299 0.83 PPARG (0.50) PPARAPPARG
SCHEMBL9858450 0.80 PPARA (0.48) PPARAPPARG
SCHEMBL9614107 0.80 PPARA (0.48) PPARAPPARG
SCHEMBL9614112 0.80 PPARA (0.48) PPARAPPARG
SCHEMBL9614200 0.78 PPARA (0.48) PPARAPPARG
SCHEMBL9614103 0.78 PPARG (0.44) PPARAPPARG
SCHEMBL9613998 0.78 PPARA (0.48) PPARAPPARG
SCHEMBL9613899 0.77 TAAR1 (0.47) PPARAPPARG
SCHEMBL27274785 0.77 PPARA (0.47) PPARAPPARG

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-5145611-A Diabetes BOEHRINGER MANNHEIM GMBH (DE) 1992-09-08 US disclosed