SCHEMBL9979504

SCHEMBL9979504

O=C(O)Cn1ccc2cc(OCCOc3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.56
PPARA Q07869 13/20 0.56
PPARG P37231 12/20 0.46
S1PR5 Q9H228 1/20 0.40
UGCG Q16739 1/20 0.40

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
SCHEMBL9979687 0.98 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL9979611 0.92 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL9979468 0.90 PPARD (0.45) PPARDPPARAPPARGUGCG
SCHEMBL9979701 0.90 PPARG (0.49) PPARDPPARAPPARG
SCHEMBL9979479 0.88 PPARD (0.68) PPARDPPARAPPARGUGCG
SCHEMBL9979508 0.82 PPARD (0.38) PPARDPPARAPPARGUGCG
SCHEMBL9979654 0.80 PPARG (0.40) PPARDPPARAPPARGUGCG
SCHEMBL9979610 0.79 PPARD (0.54) PPARDPPARAPPARGUGCG
SCHEMBL9979477 0.77 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL9979531 0.76 PPARD (0.42) PPARDPPARAPPARG

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
WO-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed