SCHEMBL9979653

SCHEMBL9979653

O=C(O)CC1CCc2cc(OCc3cccc4c3CN(c3ccc(Br)cc3)C4=O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.49
FFAR1 O14842 1/20 0.47
PPARA Q07869 8/20 0.44

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
SCHEMBL9979650 0.92 PPARD (0.49) PPARDFFAR1PPARA
SCHEMBL9979488 0.92 PPARD (0.53) PPARDFFAR1PPARA
SCHEMBL9979490 0.92 PPARD (0.53) PPARDFFAR1PPARA
SCHEMBL9979512 0.90 PPARD (0.41) PPARDFFAR1PPARA
SCHEMBL9979463 0.90 PPARD (0.59) PPARDFFAR1PPARA
SCHEMBL9979688 0.90 PPARD (0.59) PPARDFFAR1PPARA
SCHEMBL9979641 0.90 PPARD (0.59) PPARDFFAR1PPARA
SCHEMBL9979564 0.90 PPARD (0.59) PPARDFFAR1PPARA
SCHEMBL9979511 0.87 FFAR1 (0.52) PPARDFFAR1PPARA
SCHEMBL9979521 0.85 PPARD (0.53) PPARDFFAR1PPARA

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