SCHEMBL4014483

SCHEMBL4014483

CCCc1nc(=O)c(C(O)C(C)C)c(CC)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.57

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
SCHEMBL1890164 0.86 PPARG (0.57) PPARG
SCHEMBL4011358 0.84 PPARG (0.61) PPARG
SCHEMBL4010668 0.83 PPARG (0.63) PPARG
SCHEMBL4012581 0.82 PPARG (0.59) PPARG
SCHEMBL4013891 0.82 PPARG (0.61) PPARG
SCHEMBL4313411 0.80 PPARG (0.59) PPARG
SCHEMBL4009875 0.80 PPARG (0.59) PPARG
SCHEMBL4016615 0.80 PPARG (0.54) PPARG
SCHEMBL4016070 0.79 PPARG (0.57) PPARG
SCHEMBL4012577 0.79 PPARG (0.57) PPARG

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