SCHEMBL313540

SCHEMBL313540

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2c(O)ccc(O)c2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
MAOB P27338 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TYR P14679 1/20 0.39
PTPN1 P18031 1/20 0.39
PTGS1 P23219 1/20 0.39
BACE1 P56817 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL312050 0.86 KDM4E (0.44) MAPTMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL313004 0.86 ATM (0.52) MAPTMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL311431 0.85 HPGD (0.46) MAPTMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL312609 0.84 HPGD (0.42) MAOBCYP1A2CYP2C9CYP2C19TYR
SCHEMBL312477 0.84 BACE1 (0.61) MAPTMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL311136 0.84 ABL1 (0.40) MAOBCYP1A2CYP2C9CYP2C19TYR
SCHEMBL313061 0.84 MAOB (0.38) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL312748 0.82 TYR (0.44) MAOBTYRPTPN1PTGS1BACE1
SCHEMBL311741 0.82 KDM4E (0.40) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL311784 0.81 AKR1B1 (0.46) MAPTMAOBCYP2C9CYP2C19SMN1; 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