SCHEMBL9979605

SCHEMBL9979605

O=C(O)CC1CCc2cc(CCc3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.47
PPARA Q07869 9/20 0.47
PPARG P37231 4/20 0.39
FFAR1 O14842 1/20 0.38
UGCG Q16739 1/20 0.35
PDE2A O00408 1/20 0.35
S1PR1 P21453 1/20 0.34
GRK5 P34947 1/20 0.34
CDK8 P49336 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL9979693 0.90 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL9979691 0.89 CYP11B1 (0.40) PPARDPPARAPPARGUGCG
SCHEMBL9979575 0.89 PPARA (0.42) PPARDPPARAPPARGFFAR1
SCHEMBL9979564 0.85 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL9979641 0.85 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL9979674 0.81 PPARD (0.47) PPARDPPARAPPARGFFAR1UGCG
SCHEMBL9979670 0.81 PPARD (0.53) PPARDPPARAPPARGFFAR1S1PR1
SCHEMBL9979694 0.80 PPARA (0.41) PPARDPPARAPPARG
SCHEMBL9979477 0.80 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL9979570 0.80 ALDH1A1 (0.38) PPARDPPARAPPARGUGCG

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