Sugi Predict

Sugi Predict / Compounds / SCHEMBL7540205

SCHEMBL7540205

SCHEMBL7540205

CCC(C(=O)O)c1cn(CCc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)nc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.58
▸ PPARG P37231 17/20 0.54
▸ PPARA Q07869 12/20 0.54
▸ PPARD Q03181 3/20 0.48

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
SCHEMBL5381740 0.85 PPARD (0.43) FFAR1PPARGPPARAPPARD
SCHEMBL5376727 0.83 FFAR1 (0.65) FFAR1PPARGPPARA
SCHEMBL7539449 0.83 PPARG (0.53) FFAR1PPARGPPARA
SCHEMBL5376844 0.83 FFAR1 (0.72) FFAR1PPARGPPARA
SCHEMBL6591860 0.83 FFAR1 (0.61) FFAR1PPARGPPARAPPARD
SCHEMBL5377340 0.82 FFAR1 (0.60) FFAR1PPARGPPARAPPARD
SCHEMBL5380550 0.80 FFAR1 (0.69) FFAR1PPARGPPARA
SCHEMBL5376899 0.78 FFAR1 (0.60) FFAR1PPARGPPARAPPARD
SCHEMBL5381904 0.77 FFAR1 (0.62) FFAR1PPARGPPARA
SCHEMBL5387534 0.75 FFAR1 (0.70) FFAR1PPARGPPARAPPARD

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