SCHEMBL312054

SCHEMBL312054

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2nccnc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
LMNA P02545 1/20 0.36
ELANE P08246 1/20 0.35
AKR1B1 P15121 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
DPP4 P27487 1/20 0.34
ABL1 P00519 1/20 0.33
BRPF1 P55201 1/20 0.33
AGPAT2 O15120 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
SCHEMBL311722 0.88 ALDH1A1 (0.38) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL312179 0.87 MAOB (0.39) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL312452 0.87 MAOB (0.39) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL311135 0.86 MAOB (0.44) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL313061 0.86 MAOB (0.38) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL311136 0.86 ABL1 (0.40) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL312381 0.86 HPGD (0.44) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL311551 0.84 HPGD (0.39) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL311757 0.83 MAOB (0.39) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL312259 0.83 MAOB (0.40) 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