SCHEMBL15211458

SCHEMBL15211458

Cc1cnc(COc2ccc3c(CC(=O)O)csc3c2)c(C)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.56
PPARA Q07869 16/20 0.56
PPARG P37231 5/20 0.54
ITGB3 P05106 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA5 P08648 1/20 0.42
ITGB5 P18084 1/20 0.42
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC22A12 Q96S37 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
SCHEMBL15220499 0.90 PPARD (0.46) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211403 0.85 PPARD (0.58) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15220497 0.82 PPARD (0.57) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211283 0.82 PPARD (0.55) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15220521 0.82 PPARD (0.54) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL17431322 0.81 PPARA (0.54) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211393 0.81 PPARD (0.56) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211482 0.81 PPARD (0.38) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL17431448 0.80 PPARA (0.39) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL17431257 0.80 PPARD (0.57) 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 8 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
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
WO-2013125732-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-29 WO disclosed