SCHEMBL313237

SCHEMBL313237

CCOC(=O)Nc1cc(O)ccc1-c1nc(=O)c2cc(O)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
AGPAT2 O15120 3/20 0.46
HPGD P15428 6/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 3/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2D6 P10635 1/20 0.42
HTT P42858 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
MAOA P21397 1/20 0.41
ALOX5 P09917 6/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 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 0.93 KDM4E (0.52) MAOBAGPAT2HPGDKDM4EHSD17B10
SCHEMBL312986 0.92 MAOB (0.47) MAOBAGPAT2HPGDKDM4EHSD17B10
SCHEMBL313410 0.85 MAOB (0.48) MAOBAGPAT2HPGDKDM4EHSD17B10
SCHEMBL312286 0.84 MAOB (0.44) MAOBAGPAT2HPGDKDM4EHSD17B10
SCHEMBL311430 0.81 KDM4E (0.53) MAOBAGPAT2HPGDKDM4EHSD17B10
SCHEMBL311791 0.81 HPGD (0.51) MAOBHPGDKDM4EHSD17B10LMNA
SCHEMBL312367 0.78 KDM4E (0.52) MAOBHPGDKDM4EHSD17B10LMNA
SCHEMBL324201 0.77 HPGD (0.61) MAOBHPGDKDM4EHSD17B10LMNA
SCHEMBL312716 0.74 MAOB (0.43) MAOBAGPAT2HPGDKDM4EHSD17B10
SCHEMBL312223 0.74 AKR1B1 (0.56) MAOBHPGDKDM4EHSD17B10LMNA

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