SCHEMBL15210895

SCHEMBL15210895

CC(=O)Oc1csc2cc(OCc3ccc(C)nc3C(F)(F)F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.43
PPARA Q07869 13/20 0.43
PPARG P37231 5/20 0.42
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
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ESR1 P03372 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
F9 P00740 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
SCHEMBL15211405 0.87 PPARD (0.40) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211442 0.85 ALDH1A1 (0.39) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211352 0.85 PPARD (0.45) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211308 0.84 PPARD (0.37) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15210894 0.83 PPARD (0.63) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211710 0.83 PPARD (0.47) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL17444882 0.82 PPARD (0.52) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211464 0.82 PPARD (0.43) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211449 0.80 PPARD (0.42) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL17431488 0.80 PPARA (0.44) PPARDPPARAPPARGITGB3ITGB1

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