SCHEMBL4013436

SCHEMBL4013436

CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)nc(C)n1-c1ccc(OC(C)(C)C(=O)OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 20/20 0.40

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
SCHEMBL1887244 0.91 SLC33A1 (0.39) SLC33A1
SCHEMBL4011203 0.89 PPARG (0.36) SLC33A1
SCHEMBL1894696 0.80 SLC33A1 (0.40) SLC33A1
SCHEMBL1893800 0.80 SLC33A1 (0.40) SLC33A1
SCHEMBL1892252 0.80 F10 (0.38)
SCHEMBL4017376 0.80 PPARA (0.38) SLC33A1
SCHEMBL1895965 0.80 F10 (0.43) SLC33A1
SCHEMBL4010015 0.78 PPARG (0.38) SLC33A1
SCHEMBL4307158 0.77 SLC33A1 (0.40) SLC33A1
SCHEMBL4011164 0.76 SLC33A1 (0.39) SLC33A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed