SCHEMBL9979498

SCHEMBL9979498

O=C(O)CC1CCc2cc(/C=C/c3cccc4c3CN(c3ccc(OC(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.51
PPARA Q07869 11/20 0.51
PPARG P37231 5/20 0.42
ESR1 P03372 1/20 0.38

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
SCHEMBL9979609 0.91 PPARA (0.41) PPARDPPARAPPARGESR1
SCHEMBL9979674 0.90 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL9979579 0.87 PPARD (0.41) PPARDPPARAPPARG
SCHEMBL9979688 0.83 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL9979463 0.83 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL9979693 0.82 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL9979568 0.82 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL9979646 0.82 CYP11B1 (0.40) PPARDPPARAPPARG
SCHEMBL9979642 0.81 PPARD (0.67) PPARDPPARAPPARG
SCHEMBL9979673 0.80 RAB9A (0.36) 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