SCHEMBL7571072

SCHEMBL7571072

COc1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)nc1OCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
PPARG P37231 10/20 0.49
PPARA Q07869 9/20 0.49
KDR P35968 1/20 0.48
MAPT P10636 4/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL7566356 0.93 FFAR1 (0.48) FFAR1PPARGPPARAKDRMAPT
SCHEMBL7565376 0.89 FFAR1 (0.55) FFAR1PPARGPPARAKDRMAPT
SCHEMBL7569110 0.86 PPARG (0.44) FFAR1PPARGPPARAMAPTTP53
SCHEMBL7569301 0.86 PPARG (0.53) FFAR1PPARGPPARAKDRMAPT
SCHEMBL5377024 0.86 FFAR1 (0.55) FFAR1PPARGPPARAKDRMAPT
SCHEMBL5377170 0.85 FFAR1 (0.54) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4848532 0.85 KDR (0.56) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4851654 0.85 FFAR1 (0.53) FFAR1PPARGPPARAKDRPTPN2
SCHEMBL7543713 0.84 FFAR1 (0.59) FFAR1PPARGPPARAKDRMAPT
SCHEMBL5396849 0.83 FFAR1 (0.58) FFAR1PPARGPPARAKDR

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