SCHEMBL5374629

SCHEMBL5374629

CCOC(=O)CCc1cn(Cc2ccc(OCc3ccccc3)cc2)nc1OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HDAC1 Q13547 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.45
PTPN1 P18031 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
LMNA P02545 1/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LTA4H P09960 5/20 0.41
PRMT5 O14744 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL5387742 0.97 L3MBTL1 (0.46) PPARGPPARDPPARAL3MBTL1HDAC1
SCHEMBL5373814 0.92 CYP4F2 (0.50) HDAC1LMNACACNA1GCACNA1HCACNA1I
SCHEMBL5373798 0.91 FFAR1 (0.54) HDAC1PTGDR2CACNA1GCACNA1HCACNA1I
SCHEMBL5378860 0.90 MMP13 (0.42) L3MBTL1LMNAALDH1A1
SCHEMBL5385561 0.88 FFAR1 (0.40) PPARGPPARDPPARAL3MBTL1HDAC1
SCHEMBL5381156 0.88 CYP4F2 (0.44) L3MBTL1LMNACYP4F2CYP4A11ALDH1A1
SCHEMBL5385502 0.87 MMP13 (0.43) L3MBTL1LMNALTA4H
SCHEMBL5381015 0.87 ALOX5AP (0.42) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL5392101 0.86 CYSLTR2 (0.41) PPARGPPARDPPARAHDAC1CACNA1G
SCHEMBL6156589 0.85 ALDH1A1 (0.49) PPARGPPARDPPARAL3MBTL1ALDH1A1

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