SCHEMBL6593504

SCHEMBL6593504

Cc1oc(-c2ccco2)nc1COc1ccc(COc2nn(Cc3ccc(OCc4nc(-c5ccco5)oc4C)cc3)cc2/C=C/C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
PPARG P37231 11/20 0.40
PPARA Q07869 10/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
PKM P14618 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGDR Q13258 1/20 0.36

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
SCHEMBL6593508 1.00 FFAR1 (0.42) FFAR1PPARGPPARAMEN1KMT2A
SCHEMBL5372013 0.92 FFAR1 (0.39) FFAR1PPARGPPARAKMT2ASMN1; SMN2
SCHEMBL5374488 0.90 FFAR1 (0.39) FFAR1PPARGPPARASMN1; SMN2ADORA3
SCHEMBL4851874 0.89 FFAR1 (0.41) FFAR1PPARGPPARAKMT2ASMN1; SMN2
SCHEMBL6591750 0.89 FFAR1 (0.55) FFAR1PPARGPPARAMEN1KMT2A
SCHEMBL6591759 0.89 FFAR1 (0.55) FFAR1PPARGPPARAMEN1KMT2A
SCHEMBL4848923 0.88 PPARG (0.45) FFAR1PPARGPPARAMEN1KMT2A
SCHEMBL4848921 0.88 PPARG (0.45) FFAR1PPARGPPARAMEN1KMT2A
SCHEMBL5372019 0.88 FFAR1 (0.40) FFAR1PPARGPPARAKMT2ASMN1; SMN2
SCHEMBL5397282 0.88 FFAR1 (0.45) FFAR1PPARGPPARAKMT2ASMN1; SMN2

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-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed