SCHEMBL9979533

SCHEMBL9979533

O=C(O)CC1CSc2cc(OCc3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.44
PPARD Q03181 10/20 0.40
PPARA Q07869 6/20 0.40
PPARG P37231 5/20 0.39
FFAR4 Q5NUL3 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
UGCG Q16739 2/20 0.36
S1PR1 P21453 3/20 0.34
MCL1 Q07820 1/20 0.34
PRKX P51817 1/20 0.34
IKBKE Q14164 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
SCHEMBL9979503 0.92 FFAR1 (0.44) FFAR1PPARDPPARAPPARGFFAR4
SCHEMBL9979607 0.92 FFAR1 (0.39) FFAR1PPARDPPARAPPARGMRGPRX4
SCHEMBL9979534 0.90 FFAR1 (0.49) FFAR1PPARDPPARAPPARGFFAR4
SCHEMBL9979564 0.85 PPARD (0.59) FFAR1PPARDPPARAPPARG
SCHEMBL9979641 0.85 PPARD (0.59) FFAR1PPARDPPARAPPARG
SCHEMBL9979621 0.84 FFAR1 (0.52) FFAR1PPARDPPARAPPARG
SCHEMBL9979523 0.84 FFAR1 (0.52) FFAR1PPARDPPARAPPARG
SCHEMBL9979661 0.84 FFAR1 (0.52) FFAR1PPARDPPARAPPARG
SCHEMBL9979505 0.84 FFAR1 (0.39) FFAR1PPARDPPARAFFAR4MRGPRX4
SCHEMBL9979670 0.84 PPARD (0.53) FFAR1PPARDPPARAPPARGS1PR1

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