SCHEMBL5385345

SCHEMBL5385345

CCOC(=O)CCc1cn(Cc2ccc(OCc3nc(-c4ccco4)oc3C)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.43
PPARA Q07869 9/20 0.43
FFAR1 O14842 1/20 0.41
PPARD Q03181 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
ADORA2A P29274 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL5377287 0.92 FFAR1 (0.51) PPARGPPARAFFAR1PPARDMAPT
SCHEMBL5376872 0.90 FFAR1 (0.53) PPARGPPARAFFAR1PPARDTP53
SCHEMBL5379347 0.88 FFAR1 (0.43) PPARGPPARAFFAR1MAPTALDH1A1
SCHEMBL5372242 0.87 FFAR1 (0.49) PPARGPPARAFFAR1PPARDMAPT
SCHEMBL5376759 0.87 FFAR1 (0.43) PPARGPPARAFFAR1MAPTALDH1A1
SCHEMBL5376586 0.86 FFAR1 (0.58) PPARGPPARAFFAR1
SCHEMBL5385704 0.85 FFAR1 (0.49) PPARGPPARAFFAR1PPARD
SCHEMBL5382046 0.84 FFAR1 (0.44) PPARGPPARAFFAR1PPARDMAPT
SCHEMBL5376745 0.83 FFAR1 (0.54) PPARGPPARAFFAR1MAPTPOLB
SCHEMBL5376884 0.83 FFAR1 (0.40) PPARGPPARAFFAR1MAPTALDH1A1

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 5 patents. 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
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
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