SCHEMBL15211403

SCHEMBL15211403

Cc1ccc(COc2ccc3c(CC(=O)O)csc3c2)c(C)n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.58
PPARA Q07869 14/20 0.58
PPARG P37231 5/20 0.56
ITGB3 P05106 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA5 P08648 1/20 0.43
ITGB5 P18084 1/20 0.43
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MBOAT4 Q96T53 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL19190806 0.91 PPARD (0.49) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211857 0.90 PPARD (0.48) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL19190832 0.90 PPARD (0.48) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211393 0.89 PPARD (0.56) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL17444853 0.89 PPARD (0.47) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211307 0.89 PPARD (0.55) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211492 0.89 PPARD (0.55) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15220418 0.89 PPARD (0.55) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211347 0.87 PPARD (0.63) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15210894 0.87 PPARD (0.63) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838891-B1 AROMATIC RING COMPOUND AS GHRELIN O-ACYLTRANSFERASE INHIBITOR TAKEDA PHARMACEUTICALS CO (JP) 2017-08-02 EP disclosed
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
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