SCHEMBL312849

SCHEMBL312849

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2c(O)ncnc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
POLH Q9Y253 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDR P35968 5/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
XDH P47989 1/20 0.35

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
SCHEMBL311136 0.86 ABL1 (0.40) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL326091 0.85 ABL1 (0.42) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL313081 0.84 MAOB (0.38) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL312471 0.83 AKR1B1 (0.40) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL312054 0.82 MAOB (0.39) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL311904 0.81 HPGD (0.40) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL312050 0.81 KDM4E (0.44) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL312381 0.80 HPGD (0.44) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL313540 0.80 MAPT (0.41) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL312452 0.80 MAOB (0.39) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2

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