SCHEMBL311136

SCHEMBL311136

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2c(O)ccnc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.40
MAOB P27338 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
XDH P47989 1/20 0.37
TYR P14679 1/20 0.37
PTPN1 P18031 1/20 0.37
PTGS1 P23219 1/20 0.37
BACE1 P56817 1/20 0.37
PTPN12 Q05209 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
EGFR P00533 1/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
SMN1; SMN2 Q16637 3/20 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

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
SCHEMBL312849 0.86 MAOB (0.38) ABL1MAOBCYP1A2CYP2C9CYP2C19
SCHEMBL312054 0.86 MAOB (0.39) ABL1MAOBCYP1A2CYP2C9CYP2C19
SCHEMBL326091 0.85 ABL1 (0.42) ABL1MAOBCYP1A2CYP2C9CYP2C19
SCHEMBL313061 0.84 MAOB (0.38) ABL1MAOBCYP1A2CYP2C9CYP2C19
SCHEMBL312381 0.84 HPGD (0.44) MAOBCYP1A2CYP2C9CYP2C19KDR
SCHEMBL313540 0.84 MAPT (0.41) MAOBCYP1A2CYP2C9CYP2C19XDH
SCHEMBL313004 0.83 ATM (0.52) ABL1MAOBCYP1A2CYP2C9CYP2C19
SCHEMBL311904 0.81 HPGD (0.40) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL312050 0.81 KDM4E (0.44) MAOBCYP1A2CYP2C9CYP2C19XDH
SCHEMBL312477 0.81 BACE1 (0.61) ABL1MAOBCYP1A2CYP2C9CYP2C19

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