SCHEMBL7488571

SCHEMBL7488571

CCC(CC)(OC(=O)CC(=O)OC(CC)(CC)c1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)nc1-c1cccs1)c1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)nc1-c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.48
FFAR1 O14842 1/20 0.47
PPARG P37231 14/20 0.44
PPARD Q03181 5/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL7488575 0.97 FFAR1 (0.47) PPARAFFAR1PPARGPPARDMAPT
SCHEMBL5379449 0.87 FFAR1 (0.51) PPARAFFAR1PPARGPPARD
SCHEMBL7547490 0.87 PPARA (0.52) PPARAFFAR1PPARGPPARD
SCHEMBL6829766 0.85 FFAR1 (0.50) PPARAFFAR1PPARGPPARDMAPT
SCHEMBL5380963 0.84 FFAR1 (0.54) PPARAFFAR1PPARGPPARDMAPT
SCHEMBL7543020 0.84 ALDH1A1 (0.43) PPARAPPARGMAPT
SCHEMBL7547501 0.83 PPARA (0.49) PPARAFFAR1PPARGPPARDMAPT
SCHEMBL5380800 0.83 PPARA (0.53) PPARAFFAR1PPARGPPARDMAPT
SCHEMBL5378969 0.82 FFAR1 (0.54) PPARAFFAR1PPARGPPARDMAPT
SCHEMBL6829769 0.82 FFAR1 (0.51) PPARAFFAR1PPARGPPARDMAPT

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