SCHEMBL7569110

SCHEMBL7569110

COc1cn(Cc2ccc(OCc3nc(-c4ccco4)oc3C)cc2)nc1OCc1ccc(OCc2nc(-c3ccco3)oc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.44
FFAR1 O14842 1/20 0.38
MAPT P10636 8/20 0.38
ALDH1A1 P00352 5/20 0.38
TSHR P16473 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 3/20 0.37
TP53 P04637 2/20 0.37
ADORA2A P29274 3/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
PKM P14618 1/20 0.36
SIRT1 Q96EB6 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
SCHEMBL5385723 0.87 FFAR1 (0.40) PPARGFFAR1MAPTALDH1A1TSHR
SCHEMBL7571072 0.86 FFAR1 (0.53) PPARGFFAR1MAPTPOLBTP53
SCHEMBL5397282 0.86 FFAR1 (0.45) PPARGFFAR1MAPTHSD17B10SMN1; SMN2
SCHEMBL5374488 0.86 FFAR1 (0.39) PPARGFFAR1MAPTALDH1A1TSHR
SCHEMBL4850044 0.85 KDR (0.43) PPARGFFAR1MAPTHSD17B10SMN1; SMN2
SCHEMBL4851267 0.85 FFAR1 (0.46) PPARGFFAR1MAPTHSD17B10SMN1; SMN2
SCHEMBL4851874 0.84 FFAR1 (0.41) PPARGFFAR1MAPTALDH1A1HSD17B10
SCHEMBL5381940 0.83 FFAR1 (0.41) PPARGFFAR1ADORA2APPARAADORA3
SCHEMBL6593504 0.83 FFAR1 (0.42) PPARGFFAR1SMN1; SMN2ADORA2APKM
SCHEMBL6593508 0.83 FFAR1 (0.42) PPARGFFAR1SMN1; SMN2ADORA2APKM

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