SCHEMBL9979535

SCHEMBL9979535

O=C(O)Cc1csc2cc(OCc3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)ccc12

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.67
PPARA Q07869 14/20 0.67
PPARG P37231 5/20 0.62
PTGER4 P35408 2/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL9979692 0.92 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL9979532 0.92 PPARD (0.55) PPARDPPARAPPARGPTGER4FFAR1
SCHEMBL9979500 0.90 PPARD (0.51) PPARDPPARAPPARGPTGER4FFAR1
SCHEMBL9979615 0.84 PPARD (0.46) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL9979623 0.84 PPARD (0.67) PPARDPPARAPPARGPTGER4FFAR1
SCHEMBL9979576 0.82 PPARD (0.42) PPARDPPARAPPARG
SCHEMBL9979533 0.79 FFAR1 (0.44) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL9979564 0.78 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL9979641 0.78 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL9979621 0.77 FFAR1 (0.52) PPARDPPARAPPARGFFAR1

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