SCHEMBL7569301

SCHEMBL7569301

COc1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)nc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.53
PPARA Q07869 10/20 0.53
FFAR1 O14842 1/20 0.52
KDR P35968 1/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
PPARD Q03181 1/20 0.43

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
SCHEMBL7565376 0.88 FFAR1 (0.55) PPARGPPARAFFAR1KDRMAPT
SCHEMBL5382702 0.87 PPARG (0.56) PPARGPPARAFFAR1KDRMAPT
SCHEMBL5387957 0.86 PPARG (0.59) PPARGPPARAFFAR1KDRPPARD
SCHEMBL5385618 0.86 PPARG (0.54) PPARGPPARAFFAR1KDRPOLB
SCHEMBL7571072 0.86 FFAR1 (0.53) PPARGPPARAFFAR1KDRMAPT
SCHEMBL7543713 0.84 FFAR1 (0.59) PPARGPPARAFFAR1KDRMAPT
SCHEMBL5381917 0.83 FFAR1 (0.67) PPARGPPARAFFAR1PPARD
SCHEMBL7566356 0.83 FFAR1 (0.48) PPARGPPARAFFAR1KDRMAPT
SCHEMBL7594843 0.80 FFAR1 (0.57) PPARGPPARAFFAR1KDRMAPT
SCHEMBL5377024 0.78 FFAR1 (0.55) PPARGPPARAFFAR1KDRMAPT

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