SCHEMBL13046440

SCHEMBL13046440

CCCN(c1cccc(N)c1)c1cccc2c1OCC2Nc1ccc2c(c1)OC[C@H]2CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.38
PPARG P37231 12/20 0.37
PPARD Q03181 12/20 0.37
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 0.93 PPARG (0.38) FFAR1PPARGPPARDPPARA
SCHEMBL10291381 0.89 FFAR1 (0.31) FFAR1
SCHEMBL10010118 0.88 PPARG (0.38) FFAR1PPARGPPARDPPARA
SCHEMBL10009432 0.88 PPARG (0.36) FFAR1PPARGPPARDPPARA
SCHEMBL10291207 0.88 PPARG (0.36) FFAR1PPARGPPARDPPARA
SCHEMBL13047360 0.86 PPARG (0.39) FFAR1PPARGPPARDPPARA
SCHEMBL10010975 0.86 FFAR1 (0.39) FFAR1PPARGPPARDPPARA
SCHEMBL13047373 0.86 FFAR1 (0.39) FFAR1PPARGPPARDPPARA
SCHEMBL10011857 0.86 PPARG (0.36) FFAR1PPARGPPARDPPARA
SCHEMBL10010484 0.86 PPARG (0.38) FFAR1PPARGPPARDPPARA

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