SCHEMBL5377344

SCHEMBL5377344

CCOc1nn(Cc2ccc(OCc3nc(-c4ccccc4)ccc3Cl)cc2)cc1CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.42
FFAR4 Q5NUL3 8/20 0.42
GAA P10253 1/20 0.39
AKR1B1 P15121 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL5371962 0.93 FFAR1 (0.37) FFAR1FFAR4KDM4EALDH1A1MAPT
SCHEMBL5382761 0.86 FFAR1 (0.43) FFAR1FFAR4AKR1B1
SCHEMBL5385574 0.86 FFAR1 (0.45) FFAR1FFAR4AKR1B1MAPT
SCHEMBL5373798 0.84 FFAR1 (0.54) FFAR1FFAR4AKR1B1
SCHEMBL5397107 0.83 FFAR1 (0.44) FFAR1FFAR4
SCHEMBL5381178 0.83 FFAR1 (0.67) FFAR1
Sipoglitazar SCHEMBL5380746 0.81 ALDH1A1 (0.47) FFAR1FFAR4AKR1B1KDM4EALDH1A1
SCHEMBL5380635 0.80 FFAR1 (0.46) FFAR1FFAR4GAAAKR1B1
SCHEMBL5387526 0.80 FFAR1 (0.65) FFAR1FFAR4AKR1B1
SCHEMBL5372527 0.80 FFAR1 (0.47) FFAR1FFAR4AKR1B1

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