SCHEMBL9979532

SCHEMBL9979532

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.55
PPARA Q07869 9/20 0.55
PPARG P37231 4/20 0.51
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PTGER4 P35408 4/20 0.36
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGB5 P18084 1/20 0.35
UGCG Q16739 1/20 0.34
NTRK1 P04629 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
ADAMTS4 O75173 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33

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
SCHEMBL9979615 0.92 PPARD (0.46) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL9979535 0.92 PPARD (0.67) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL9979500 0.90 PPARD (0.51) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL9979692 0.84 PPARD (0.56) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL9979633 0.84 PPARD (0.55) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL9979576 0.82 PPARD (0.42) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL9979503 0.79 FFAR1 (0.44) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL9979463 0.78 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL9979688 0.78 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL9979524 0.77 FFAR1 (0.49) 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