SCHEMBL6593633

SCHEMBL6593633

Cc1c(-c2cc3ccc(OCCC4CCCCC4)cc3o2)oc(=O)c(C)c1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.40
MAOA P21397 3/20 0.40
CA2 P00918 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
XDH P47989 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
GRM2 Q14416 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
ACHE P22303 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL6597849 0.95 MAOB (0.39) MAOBMAOACA2HPGDKDM4E
SCHEMBL6594015 0.92 NFE2L2 (0.38) MAOBMAOACA2NFE2L2HPGD
SCHEMBL6593626 0.90 MAOB (0.46) MAOBMAOAACHE
SCHEMBL6595192 0.89 MAOB (0.47) MAOBMAOAACHE
SCHEMBL6593804 0.88 S1PR1 (0.38) MAOBMAOACA2HPGDKDM4E
SCHEMBL6596048 0.85 MKNK1 (0.44) MAOBMAOAS1PR1S1PR3ACHE
SCHEMBL6597903 0.85 MAOB (0.48) MAOBMAOAACHE
SCHEMBL6595689 0.83 MAOB (0.55) MAOBMAOAHPGDKDM4EALDH1A1
SCHEMBL6597523 0.82 S1PR1 (0.46) MAOBMAOAS1PR1S1PR3ACHE
SCHEMBL6590829 0.82 SLC16A3 (0.45) MAOBMAOAHPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 EP disclosed
US-6589984-B1 Blood cholesterol and triglycerides (TG) themselves are generally insoluble in blood, and they exist as lipoproteins by binding with apolipoproteins. In the body, triglycerides are biosynthesized primarily in the liver from acetyl CoA as TEIJIN LIMITED (JP) 2003-07-08 US disclosed
EP-1063235-A1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LIMITED (JP) 2000-12-27 EP disclosed