SCHEMBL9979701

SCHEMBL9979701

O=C(O)Cn1ccc2cc(OCCCOc3cccc4c3CN(c3ccc(OC(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.49
PPARA Q07869 17/20 0.47
PPARD Q03181 16/20 0.47

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
SCHEMBL9979611 0.98 PPARD (0.46) PPARGPPARAPPARD
SCHEMBL9979687 0.92 PPARD (0.56) PPARGPPARAPPARD
SCHEMBL9979654 0.90 PPARG (0.40) PPARGPPARAPPARD
SCHEMBL9979504 0.90 PPARD (0.56) PPARGPPARAPPARD
SCHEMBL9979508 0.88 PPARD (0.38) PPARGPPARAPPARD
SCHEMBL9979531 0.83 PPARD (0.42) PPARGPPARAPPARD
SCHEMBL9979468 0.80 PPARD (0.45) PPARGPPARAPPARD
SCHEMBL9979479 0.79 PPARD (0.68) PPARGPPARAPPARD
SCHEMBL9979642 0.78 PPARD (0.67) PPARGPPARAPPARD
SCHEMBL9979568 0.75 PPARD (0.63) 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 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