SCHEMBL15211802

SCHEMBL15211802

Cc1nc(C(F)(F)F)c(COc2ccc3c(CC(=O)O)csc3c2)s1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.67
PPARA Q07869 15/20 0.67
PPARG P37231 6/20 0.61
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
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL19191014 0.93 PPARD (0.63) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL17444887 0.91 PPARD (0.56) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL17431307 0.87 PPARD (0.69) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211191 0.85 PPARD (0.75) PPARDPPARAPPARG
SCHEMBL17431318 0.84 PPARD (0.59) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15210894 0.83 PPARD (0.63) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211710 0.83 PPARD (0.47) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211347 0.82 PPARD (0.63) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL17431457 0.81 PPARD (0.48) PPARDPPARAPPARGMEN1KMT2A
SCHEMBL5859765 0.80 PPARD (1.00) PPARDPPARAPPARG

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