SCHEMBL9979503

SCHEMBL9979503

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.44
PPARA Q07869 3/20 0.40
PPARD Q03181 2/20 0.40
FFAR4 Q5NUL3 2/20 0.37
PPARG P37231 2/20 0.36
S1PR1 P21453 3/20 0.34
UGCG Q16739 1/20 0.34
LIPE Q05469 3/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
GLA P06280 1/20 0.32

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
SCHEMBL9979533 0.92 FFAR1 (0.44) FFAR1PPARAPPARDFFAR4PPARG
SCHEMBL9979505 0.92 FFAR1 (0.39) FFAR1PPARAPPARDFFAR4S1PR1
SCHEMBL9979534 0.90 FFAR1 (0.49) FFAR1PPARAPPARDFFAR4PPARG
SCHEMBL9979688 0.85 PPARD (0.59) FFAR1PPARAPPARDPPARG
SCHEMBL9979463 0.85 PPARD (0.59) FFAR1PPARAPPARDPPARG
SCHEMBL9979524 0.84 FFAR1 (0.49) FFAR1PPARAPPARDPPARG
SCHEMBL9979607 0.84 FFAR1 (0.39) FFAR1PPARAPPARDPPARGS1PR1
SCHEMBL9979521 0.84 PPARD (0.53) FFAR1PPARAPPARDPPARG
SCHEMBL9979578 0.82 FFAR1 (0.43) FFAR1UGCG
SCHEMBL9979532 0.79 PPARD (0.55) FFAR1PPARAPPARDFFAR4PPARG

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