SCHEMBL13047360

SCHEMBL13047360

CCN(c1ccc(N)cc1)c1cccc2c1OCC2Nc1ccc2c(c1)OC[C@H]2CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.39
PPARD Q03181 13/20 0.39
FFAR1 O14842 16/20 0.38
PPARA Q07869 1/20 0.37

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
SCHEMBL13046447 0.94 PPARG (0.38) PPARGPPARDFFAR1PPARA
SCHEMBL10011563 0.93 PPARD (0.43) PPARGPPARDFFAR1PPARA
SCHEMBL10010669 0.90 PPARG (0.39) PPARGPPARDFFAR1PPARA
SCHEMBL10292303 0.89 PPARG (0.38) PPARGPPARDFFAR1PPARA
SCHEMBL10291776 0.88 FFAR1 (0.31) FFAR1
SCHEMBL13046440 0.86 FFAR1 (0.38) PPARGPPARDFFAR1PPARA
SCHEMBL13047113 0.85 PPARG (0.39) PPARGPPARDFFAR1PPARA
SCHEMBL10009799 0.85 PPARG (0.39) PPARGPPARDFFAR1PPARA
SCHEMBL10011857 0.83 PPARG (0.36) PPARGPPARDFFAR1PPARA
SCHEMBL10010484 0.83 PPARG (0.38) PPARGPPARDFFAR1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed