SCHEMBL9979477

SCHEMBL9979477

O=C(O)CC1CCc2cc(OCCOc3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.63
PPARA Q07869 9/20 0.63
PPARG P37231 1/20 0.48

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
SCHEMBL9979489 0.98 PPARD (0.67) PPARDPPARA
SCHEMBL9979568 0.92 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL9979593 0.90 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL9979642 0.90 PPARD (0.67) PPARDPPARAPPARG
SCHEMBL9979566 0.90 PPARD (0.58) PPARDPPARAPPARG
SCHEMBL9979564 0.88 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL9979641 0.88 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL9979475 0.88 PPARD (0.53) PPARDPPARA
SCHEMBL9979604 0.87 PPARD (0.62) PPARDPPARA
SCHEMBL9979670 0.84 PPARD (0.53) 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