SCHEMBL9979674

SCHEMBL9979674

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.47
PPARA Q07869 6/20 0.47
FFAR1 O14842 1/20 0.38
NR1H3 Q13133 1/20 0.36
PPARG P37231 2/20 0.36
UGCG Q16739 2/20 0.35

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
SCHEMBL9979646 0.90 CYP11B1 (0.40) PPARDPPARANR1H3PPARGUGCG
SCHEMBL9979498 0.90 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL9979579 0.89 PPARD (0.41) PPARDPPARAFFAR1PPARG
SCHEMBL9979605 0.81 PPARD (0.47) PPARDPPARAFFAR1PPARGUGCG
SCHEMBL9979609 0.81 PPARA (0.41) PPARDPPARAPPARG
SCHEMBL9979673 0.81 RAB9A (0.36) PPARDPPARANR1H3PPARGUGCG
SCHEMBL9979641 0.80 PPARD (0.59) PPARDPPARAFFAR1PPARG
SCHEMBL9979564 0.80 PPARD (0.59) PPARDPPARAFFAR1PPARG
SCHEMBL9979477 0.79 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL9979489 0.79 PPARD (0.67) PPARDPPARA

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