SCHEMBL5397107

SCHEMBL5397107

CCOc1nn(Cc2ccc(OCc3nc(-c4ccccc4)sc3C)cc2)cc1CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.44
FFAR4 Q5NUL3 5/20 0.42
PPARD Q03181 2/20 0.42
PTPN11 Q06124 2/20 0.41
PPARG P37231 7/20 0.41
PPARA Q07869 7/20 0.41
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
PTGER4 P35408 1/20 0.38

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
SCHEMBL5381178 0.84 FFAR1 (0.67) FFAR1PPARGPPARA
Sipoglitazar SCHEMBL5380746 0.84 ALDH1A1 (0.47) FFAR1FFAR4PPARGPPARA
SCHEMBL5373798 0.84 FFAR1 (0.54) FFAR1FFAR4PTGER4
SCHEMBL5377344 0.83 FFAR1 (0.42) FFAR1FFAR4
SCHEMBL5382761 0.81 FFAR1 (0.43) FFAR1FFAR4PTGER4
SCHEMBL5385574 0.81 FFAR1 (0.45) FFAR1FFAR4PTGER4
SCHEMBL5372359 0.81 FFAR1 (0.47) FFAR1FFAR4PPARDPPARGPPARA
SCHEMBL5380635 0.80 FFAR1 (0.46) FFAR1FFAR4PTGER4
SCHEMBL5387526 0.80 FFAR1 (0.65) FFAR1FFAR4PPARGPPARA
SCHEMBL5372527 0.80 FFAR1 (0.47) FFAR1FFAR4PTGER4

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 3 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