SCHEMBL15211494

SCHEMBL15211494

COc1ccc(COc2ccc3c(OC(C)=O)csc3c2)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
PPARD Q03181 8/20 0.39
PPARA Q07869 8/20 0.39
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 1/20 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
PPARG P37231 4/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 1/20 0.35
ESR1 P03372 2/20 0.35
F2 P00734 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL15211405 0.89 PPARD (0.40) PPARDPPARAALDH1A1MAPTHSD17B10
SCHEMBL15211560 0.87 PPARD (0.39) PPARDPPARAALDH1A1MAPTHSD17B10
SCHEMBL15211352 0.84 PPARD (0.45) FFAR1PPARDPPARAALDH1A1MAPT
SCHEMBL15211308 0.84 PPARD (0.37) PPARDPPARAALDH1A1MAPTHSD17B10
SCHEMBL17431280 0.84 PPARD (0.40) PPARDPPARAALDH1A1MAPTHSD17B10
SCHEMBL15211492 0.83 PPARD (0.55) FFAR1PPARDPPARAITGB3ITGB1
SCHEMBL19191739 0.81 PPARD (0.45) FFAR1PPARDPPARAALDH1A1MAPT
SCHEMBL15211173 0.81 PPARD (0.36) PPARDPPARAALDH1A1MAPTHSD17B10
SCHEMBL15211501 0.81 PPARD (0.45) FFAR1PPARDPPARAALDH1A1MAPT
SCHEMBL15211442 0.81 ALDH1A1 (0.39) PPARDPPARAALDH1A1MAPTHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838891-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-25 EP disclosed
WO-2013125732-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-29 WO disclosed