SCHEMBL5372013

SCHEMBL5372013

CCOC(=O)/C=C/c1cn(Cc2ccc(OCc3nc(-c4ccco4)oc3C)cc2)nc1OCc1ccc(OCc2nc(-c3ccco3)oc2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
PPARG P37231 12/20 0.39
PPARA Q07869 11/20 0.39
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34

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
SCHEMBL6593504 0.92 FFAR1 (0.42) FFAR1PPARGPPARAKMT2ASMN1; SMN2
SCHEMBL6593508 0.92 FFAR1 (0.42) FFAR1PPARGPPARAKMT2ASMN1; SMN2
SCHEMBL5380788 0.89 FFAR1 (0.52) FFAR1PPARGPPARA
SCHEMBL5374488 0.88 FFAR1 (0.39) FFAR1PPARGPPARAMAPTALDH1A1
SCHEMBL5381940 0.86 FFAR1 (0.41) FFAR1PPARGPPARAKMT2AADORA3
SCHEMBL5372019 0.86 FFAR1 (0.40) FFAR1PPARGPPARAMAPTUSP2
SCHEMBL4851874 0.85 FFAR1 (0.41) FFAR1PPARGPPARAMAPTALDH1A1
SCHEMBL5397282 0.84 FFAR1 (0.45) FFAR1PPARGPPARAMAPTUSP2
SCHEMBL4849050 0.84 FFAR1 (0.43) FFAR1PPARGPPARAMAPTUSP2
SCHEMBL4851267 0.83 FFAR1 (0.46) FFAR1PPARGPPARAMAPTUSP2

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
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed