SCHEMBL312452

SCHEMBL312452

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2ncc(O)nc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ELANE P08246 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
DPP4 P27487 1/20 0.34
MIF P14174 2/20 0.33
AGPAT2 O15120 1/20 0.33
BRPF1 P55201 1/20 0.33
PFKFB3 Q16875 1/20 0.33
MAOA P21397 1/20 0.33
AKR1B1 P15121 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL312179 0.92 MAOB (0.39) MAOBCYP1A2CYP2C9CYP2C19ELANE
SCHEMBL312054 0.87 MAOB (0.39) MAOBCYP1A2CYP2C9CYP2C19ELANE
SCHEMBL313600 0.85 MAOB (0.41) MAOBCYP1A2CYP2C9CYP2C19ELANE
SCHEMBL312716 0.84 MAOB (0.43) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL311390 0.84 AKR1B1 (0.41) MAOBCYP1A2CYP2C9CYP2C19ELANE
SCHEMBL312259 0.84 MAOB (0.40) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL312485 0.83 HPGD (0.39) MAOBCYP1A2CYP2C9CYP2C19ELANE
SCHEMBL311904 0.82 HPGD (0.40) MAOBCYP1A2CYP2C9CYP2C19ELANE
SCHEMBL311757 0.81 MAOB (0.39) MAOBCYP1A2CYP2C9CYP2C19ELANE
SCHEMBL312471 0.81 AKR1B1 (0.40) MAOBCYP1A2CYP2C9CYP2C19ELANE

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