SCHEMBL7539449

SCHEMBL7539449

CCC(C(=O)O)c1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)nc2)nc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.53
PPARA Q07869 19/20 0.53
FFAR1 O14842 1/20 0.45

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
SCHEMBL5382079 0.86 PPARG (0.62) PPARGPPARAFFAR1
SCHEMBL7545730 0.85 KLKB1 (0.42) PPARGPPARAFFAR1
SCHEMBL5381008 0.84 PPARG (0.49) PPARGPPARAFFAR1
SCHEMBL5373778 0.84 PPARG (0.49) PPARGPPARAFFAR1
SCHEMBL7540205 0.83 FFAR1 (0.58) PPARGPPARAFFAR1
SCHEMBL5371969 0.82 KDR (0.48) PPARGPPARAFFAR1
SCHEMBL5382403 0.82 FFAR1 (0.57) PPARGPPARAFFAR1
SCHEMBL5380738 0.82 SMN1; SMN2 (0.49) PPARGPPARAFFAR1
SCHEMBL5376708 0.81 PPARG (0.49) PPARGPPARAFFAR1
SCHEMBL5379318 0.81 KLKB1 (0.43) PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed