SCHEMBL5730769

SCHEMBL5730769

Cc1oc(-c2cccc(-c3ccccc3)c2)nc1CCOc1[c]c(C#N)ccc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.49
PPARG P37231 18/20 0.49
PPARD Q03181 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
SCHEMBL5349232 0.94 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL5358357 0.86 PPARG (0.51) PPARAPPARGPPARD
SCHEMBL5730668 0.76 PPARG (0.54) PPARAPPARGPPARD
SCHEMBL5731070 0.75 PPARG (0.44) PPARAPPARG
SCHEMBL5730014 0.75 PPARG (0.53) PPARAPPARG
SCHEMBL6631311 0.75 PPARG (0.55) PPARAPPARGPPARD
SCHEMBL6635382 0.75 PPARG (0.58) PPARAPPARGPPARD
SCHEMBL5731134 0.74 PPARG (0.48) PPARAPPARG
SCHEMBL5204314 0.74 KDM4E (0.54) PPARAPPARGPPARD
SCHEMBL6991602 0.74 PPARG (0.59) PPARAPPARGPPARD

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
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed