SCHEMBL311513

SCHEMBL311513

CCOC(=O)Nc1cc(O)cnc1-c1cc(=O)c2c(O)cccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.45
MAOB P27338 1/20 0.44
ATM Q13315 1/20 0.44
CYP3A4 P08684 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 2/20 0.44
RAF1 P04049 1/20 0.44
ABL1 P00519 4/20 0.43
ALOX15 P16050 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX5 P09917 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43

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
SCHEMBL312875 0.87 KDM4E (0.58) MAOBCYP3A4MAPTMEN1KMT2A
SCHEMBL312402 0.85 HPGD (0.43) MAOBHPGDKDM4EHSD17B10CYP2C9
SCHEMBL311971 0.83 AKR1B1 (0.51) MAOBCYP3A4MEN1KMT2AMAPK1
SCHEMBL311598 0.83 CSNK2A2 (0.46) MAOBCYP3A4MAPTMEN1KMT2A
SCHEMBL313004 0.83 ATM (0.52) ARMAOBATMCYP3A4MAPT
SCHEMBL313348 0.82 ATM (0.49) ARMAOBATMCYP3A4MAPT
SCHEMBL311987 0.75 ATM (0.50) ARMAOBATMCYP3A4MAPT
SCHEMBL312748 0.74 TYR (0.44) MAOBMAPK1HPGDABL1KDM4E
SCHEMBL312259 0.73 MAOB (0.40) MAOBHPGDABL1KDM4EHSD17B10
SCHEMBL311138 0.73 HPGD (0.58) MAOBCYP3A4MAPTMEN1KMT2A

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