SCHEMBL312367

SCHEMBL312367

CCOC(=O)Nc1cc(O)cc(O)c1-c1nc(=O)c2ccccc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
HPGD P15428 4/20 0.52
HSD17B10 Q99714 3/20 0.52
MAOB P27338 3/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.43
GLA P06280 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AHR P35869 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL311616 0.85 KDM4E (0.52) KDM4EHPGDHSD17B10MAOBLMNA
SCHEMBL311430 0.84 KDM4E (0.53) KDM4EHPGDHSD17B10MAOBLMNA
SCHEMBL312706 0.82 KDM4E (0.61) KDM4EHPGDHSD17B10MAOBLMNA
SCHEMBL312986 0.78 MAOB (0.47) KDM4EHPGDHSD17B10MAOBLMNA
SCHEMBL313237 0.78 MAOB (0.47) KDM4EHPGDHSD17B10MAOBLMNA
SCHEMBL312286 0.75 MAOB (0.44) KDM4EHPGDHSD17B10MAOBLMNA
SCHEMBL313410 0.74 MAOB (0.48) KDM4EHPGDHSD17B10MAOBLMNA
SCHEMBL312777 0.74 HPGD (0.43) KDM4EHPGDHSD17B10MAOBLMNA
SCHEMBL312639 0.73 HPGD (0.44) KDM4EHPGDHSD17B10MAOBLMNA
SCHEMBL313350 0.73 KDM4E (0.44) KDM4EHPGDHSD17B10MAOBLMNA

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
US-8093273-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-01-10 US disclosed
EP-2332527-A2 Flavanoids and Isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2011-06-15 EP disclosed