SCHEMBL9979615

SCHEMBL9979615

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
PPARG P37231 3/20 0.42
MRGPRX4 Q96LA9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NTRK1 P04629 1/20 0.35
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
UGCG Q16739 3/20 0.33
CSNK1D P48730 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LIPE Q05469 1/20 0.32
GPR139 Q6DWJ6 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
SCHEMBL9979692 0.92 PPARD (0.56) PPARDPPARAPPARGMRGPRX4ITGB3
SCHEMBL9979532 0.92 PPARD (0.55) PPARDPPARAPPARGMRGPRX4NTRK1
SCHEMBL9979576 0.91 PPARD (0.42) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL9979535 0.84 PPARD (0.67) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL9979500 0.83 PPARD (0.51) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL9979505 0.80 FFAR1 (0.39) PPARDPPARAMRGPRX4L3MBTL1NTRK1
SCHEMBL9979618 0.78 PPARD (0.44) PPARDPPARAPPARGL3MBTL1FFAR1
SCHEMBL9979633 0.77 PPARD (0.55) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL9979503 0.74 FFAR1 (0.44) PPARDPPARAPPARGMRGPRX4UGCG
SCHEMBL9979507 0.74 PPARD (0.47) 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