SCHEMBL6593804

SCHEMBL6593804

Cc1c(-c2cc3cc(OCCCC4CCCCC4)ccc3o2)oc(=O)c(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.38
MAOB P27338 4/20 0.37
MAOA P21397 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
S1PR3 Q99500 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HPGD P15428 2/20 0.36
CA2 P00918 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
SCHEMBL6594015 0.95 NFE2L2 (0.38) S1PR1MAOBMAOAKDM4EMEN1
SCHEMBL6597849 0.93 MAOB (0.39) S1PR1MAOBMAOAKDM4EHSD17B10
SCHEMBL6597523 0.89 S1PR1 (0.46) S1PR1MAOBMAOAS1PR3
SCHEMBL6594181 0.88 S1PR1 (0.47) S1PR1MAOBMAOAS1PR3
SCHEMBL6593633 0.88 MAOB (0.40) S1PR1MAOBMAOAKDM4EHSD17B10
SCHEMBL6592252 0.84 MAOB (0.45) S1PR1MAOBMAOAS1PR3
SCHEMBL6594842 0.84 MKNK1 (0.44) S1PR1MAOBMAOAS1PR3SIGMAR1
SCHEMBL6593626 0.82 MAOB (0.46) MAOBMAOA
SCHEMBL6596608 0.81 ACHE (0.42) S1PR1MAOBMAOAMEN1KMT2A
SCHEMBL6594846 0.81 MAOB (0.49) MAOBMAOAKDM4ESIGMAR1

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