SCHEMBL3718062

SCHEMBL3718062

CCC(Nc1cccc2c1OC[C@H]2Nc1ccc2c(c1)OC[C@H]2CC(=O)O)c1ccc(F)nc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.37
PPARD Q03181 13/20 0.37
FFAR1 O14842 16/20 0.36
PPARA Q07869 1/20 0.35

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
SCHEMBL1707972 0.81
SCHEMBL13048306 0.79 PPARD (0.38) PPARGPPARDFFAR1PPARA
SCHEMBL10008447 0.79 PPARD (0.38) PPARGPPARDFFAR1PPARA
SCHEMBL1707822 0.75 PPARG (0.44) PPARGPPARDFFAR1PPARA
SCHEMBL10010131 0.74 FFAR1 (0.45) PPARGPPARDFFAR1PPARA
SCHEMBL10009300 0.74 PPARD (0.39) PPARGPPARDFFAR1PPARA
SCHEMBL10011110 0.73 FFAR1 (0.48) PPARGPPARDFFAR1PPARA
SCHEMBL10009234 0.73 FFAR1 (0.48) PPARGPPARDFFAR1PPARA
SCHEMBL10011831 0.73 FFAR1 (0.48) PPARGPPARDFFAR1PPARA
SCHEMBL1708004 0.73 KCNK3 (0.31)

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