SCHEMBL9979479

SCHEMBL9979479

O=C(O)Cn1ccc2cc(OCc3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.68
PPARA Q07869 10/20 0.62
BCL2 P10415 2/20 0.41
MCL1 Q07820 2/20 0.41
PPARG P37231 8/20 0.41
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
UGCG Q16739 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL9979610 0.90 PPARD (0.54) PPARDPPARABCL2MCL1PPARG
SCHEMBL9979504 0.88 PPARD (0.56) PPARDPPARAPPARGUGCG
SCHEMBL9979687 0.87 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL9979611 0.80 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL9979701 0.79 PPARG (0.49) PPARDPPARAPPARG
SCHEMBL9979468 0.79 PPARD (0.45) PPARDPPARAPPARGUGCG
SCHEMBL9979623 0.77 PPARD (0.67) PPARDPPARAPPARGFFAR1
SCHEMBL9979535 0.77 PPARD (0.67) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL9979641 0.77 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL9979564 0.77 PPARD (0.59) PPARDPPARAPPARGFFAR1

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