SCHEMBL15212691

SCHEMBL15212691

Cc1cc(COc2ccc3c(CC(=O)O)csc3c2)n(C)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 13/20 0.54
▸ PPARA Q07869 13/20 0.54
▸ PPARG P37231 5/20 0.54
▸ FFAR1 O14842 1/20 0.49
▸ ITGB3 P05106 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ ITGA5 P08648 1/20 0.40
▸ ITGB5 P18084 1/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALOX5AP P20292 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
SCHEMBL15212674 0.90 FFAR1 (0.48) PPARDPPARAPPARGFFAR1ITGB3
SCHEMBL15212615 0.86 PPARD (0.61) PPARDPPARAPPARGFFAR1ITGB3
SCHEMBL15212736 0.83 PPARD (0.54) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL15212745 0.82 PPARD (0.54) PPARDPPARAPPARGFFAR1KEAP1
SCHEMBL15212693 0.81 FFAR1 (0.45) PPARDPPARAPPARGFFAR1ITGB3
SCHEMBL17431471 0.81 FFAR1 (0.49) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL15211403 0.79 PPARD (0.58) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15212694 0.78 PPARD (0.48) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL15211393 0.77 PPARD (0.56) PPARDPPARAPPARGFFAR1ITGB3
SCHEMBL15211458 0.77 PPARD (0.56) 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
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