SCHEMBL5388229

SCHEMBL5388229

O=C(O)CCc1cn(Cc2ccc(OCc3ccco3)cc2)cc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.50
FFAR4 Q5NUL3 13/20 0.50
PTGER4 P35408 2/20 0.43
PTGER3 P43115 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AKR1B1 P15121 1/20 0.43
PTGER1 P34995 1/20 0.42
PTGER2 P43116 1/20 0.42

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
SCHEMBL5377471 0.89 FFAR1 (0.40) FFAR1FFAR4MAPT
SCHEMBL5381548 0.87 FFAR1 (0.59) FFAR1FFAR4PTGER4PTGER3AKR1B1
SCHEMBL5387593 0.84 FFAR1 (0.50) FFAR1FFAR4PTGER4PTGER3AKR1B1
SCHEMBL5386412 0.83 FFAR1 (0.51) FFAR1FFAR4PTGER4PTGER3AKR1B1
SCHEMBL5379417 0.83 FFAR1 (0.44) FFAR1FFAR4MAPTAKR1B1
SCHEMBL5381983 0.82 FFAR1 (0.53) FFAR1FFAR4PTGER4PTGER3AKR1B1
SCHEMBL5397800 0.81 FFAR1 (0.51) FFAR1FFAR4PTGER4PTGER3
SCHEMBL5387989 0.81 FFAR1 (0.70) FFAR1FFAR4AKR1B1
SCHEMBL5387848 0.81 FFAR1 (0.59) FFAR1
SCHEMBL5380592 0.80 FFAR1 (0.50) FFAR1FFAR4PTGER4PTGER3AKR1B1

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