SCHEMBL15211352

SCHEMBL15211352

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.45
PPARA Q07869 12/20 0.45
MBOAT4 Q96T53 1/20 0.45
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
FFAR1 O14842 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
SCHEMBL15211464 0.90 PPARD (0.43) PPARDPPARAMBOAT4PPARGITGB3
SCHEMBL15211405 0.87 PPARD (0.40) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211313 0.86 MBOAT4 (0.44) PPARDPPARAMBOAT4PPARG
SCHEMBL15211560 0.85 PPARD (0.39) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211370 0.85 MBOAT4 (0.42) PPARDPPARAMBOAT4PPARGFFAR1
SCHEMBL15211263 0.85 PPARD (0.40) PPARDPPARAPPARG
SCHEMBL15210895 0.85 PPARD (0.43) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211494 0.84 FFAR1 (0.39) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211127 0.84 PPARD (0.47) PPARDPPARAMBOAT4PPARGMAPT
SCHEMBL15211347 0.83 PPARD (0.63) PPARDPPARAMBOAT4PPARGITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
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