SCHEMBL15211464

SCHEMBL15211464

CC(=O)Oc1csc2cc(OCc3ccc(C(F)(F)F)nc3Cl)ccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.43
PPARA Q07869 11/20 0.43
PPARG P37231 4/20 0.41
MBOAT4 Q96T53 1/20 0.39
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
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
GSTP1 P09211 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
SCHEMBL15211352 0.90 PPARD (0.45) PPARDPPARAPPARGMBOAT4ITGB3
SCHEMBL15211263 0.84 PPARD (0.40) PPARDPPARAPPARG
SCHEMBL15211556 0.83 PPARD (0.63) PPARDPPARAPPARGMBOAT4ITGB3
SCHEMBL15210895 0.82 PPARD (0.43) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211367 0.82 PPARD (0.40) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL17444900 0.81 PPARD (0.50) PPARDPPARAPPARGMBOAT4MAPT
SCHEMBL17431353 0.80 PPARA (0.42) PPARDPPARAPPARGMBOAT4ITGB3
SCHEMBL15211282 0.79 NR4A2 (0.49) PPARDPPARAMAPTALDH1A1
SCHEMBL15211398 0.78 PPARD (0.46) PPARDPPARAPPARGMAPTALDH1A1
SCHEMBL15211405 0.78 PPARD (0.40) 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