SCHEMBL9979692

SCHEMBL9979692

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.56
PPARA Q07869 11/20 0.56
PPARG P37231 4/20 0.52
MRGPRX4 Q96LA9 1/20 0.37
UGCG Q16739 4/20 0.37
CHRNB2 P17787 1/20 0.34
HTR1B P28222 1/20 0.34
SLC6A4 P31645 1/20 0.34
CHRNA4 P43681 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA5 P08648 1/20 0.34
ITGB5 P18084 1/20 0.34
MCHR1 Q99705 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
SCHEMBL9979615 0.92 PPARD (0.46) PPARDPPARAPPARGMRGPRX4UGCG
SCHEMBL9979535 0.92 PPARD (0.67) PPARDPPARAPPARG
SCHEMBL9979576 0.91 PPARD (0.42) PPARDPPARAPPARGUGCGITGB3
SCHEMBL9979532 0.84 PPARD (0.55) PPARDPPARAPPARGMRGPRX4UGCG
SCHEMBL9979500 0.83 PPARD (0.51) PPARDPPARAPPARGUGCGITGB3
SCHEMBL9979607 0.80 FFAR1 (0.39) PPARDPPARAPPARGMRGPRX4UGCG
SCHEMBL9979628 0.79 FFAR1 (0.46) PPARDPPARG
SCHEMBL9979530 0.79 FFAR1 (0.46) PPARDPPARG
SCHEMBL9979510 0.78 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL5639274 0.77 PPARA (0.81) PPARDPPARAPPARG

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