SCHEMBL5381841

SCHEMBL5381841

CCOc1nn(Cc2ccc(OCc3cn4c(OCC)cccc4n3)cc2)cc1CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.41
FFAR1 O14842 7/20 0.39
FFAR4 Q5NUL3 2/20 0.39
LMNA P02545 2/20 0.39
AKR1B1 P15121 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35

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
SCHEMBL5387609 0.92 KDM4E (0.40) KDM4EMAPTGAARAB9AFFAR1
SCHEMBL5379383 0.92 MAPT (0.40) KDM4EMAPTGAARAB9ALMNA
SCHEMBL5371988 0.90 KDM4E (0.44) KDM4EMAPTGAARAB9AFFAR1
SCHEMBL5381944 0.84 MAPT (0.41) KDM4EMAPTGAARAB9ALMNA
SCHEMBL5387466 0.83 MAPT (0.44) KDM4EMAPTGAARAB9ALMNA
SCHEMBL5373798 0.83 FFAR1 (0.54) FFAR1FFAR4AKR1B1CACNA1GCACNA1H
SCHEMBL5382761 0.82 FFAR1 (0.43) FFAR1FFAR4AKR1B1CYSLTR2CYSLTR1
SCHEMBL5381140 0.81 FFAR1 (0.63) FFAR1AKR1B1CYSLTR2CYSLTR1
SCHEMBL5393683 0.81 PDE4B (0.35) KDM4EMAPTGAARAB9AFFAR1
Sipoglitazar SCHEMBL5380746 0.80 ALDH1A1 (0.47) KDM4EMAPTRAB9AFFAR1FFAR4

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