SCHEMBL7543726

SCHEMBL7543726

CCOC(=O)CCc1cn(Cc2ccc(OC(C)c3cn(-c4ccccn4)nc3C)cc2)nc1OCC

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
LMNA P02545 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
DGAT1 O75907 1/20 0.34
POLB P06746 2/20 0.32
FFAR1 O14842 2/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
P2RX3 P56373 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LTA4H P09960 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL5385710 0.87 DGAT1 (0.36) CYP4F2CYP4A11LMNAPTGDR2DGAT1
SCHEMBL7543721 0.86 DGAT1 (0.36) CYP4F2CYP4A11LMNADGAT1POLB
SCHEMBL5376441 0.79 FFAR4 (0.42) PTGDR2DGAT1FFAR1L3MBTL1FFAR4
SCHEMBL6035855 0.79 CYP4F2 (0.49) CYP4F2CYP4A11LMNADGAT1ALDH1A1
SCHEMBL5385713 0.78 CYP4F2 (0.34) CYP4F2CYP4A11LMNAPOLBCACNA1G
SCHEMBL5373814 0.78 CYP4F2 (0.50) CYP4F2CYP4A11LMNACACNA1GCACNA1H
SCHEMBL5397402 0.78 FFAR1 (0.41) LMNAPOLBFFAR1P2RX3L3MBTL1
SCHEMBL5377167 0.78 KDM4E (0.45) CYP4F2CYP4A11LMNAALDH1A1
SCHEMBL5374629 0.76 PPARG (0.46) CYP4F2CYP4A11LMNAPTGDR2FFAR1
SCHEMBL5382748 0.76 HDAC1 (0.41) PTGDR2DGAT1FFAR1ALDH1A1FFAR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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