SCHEMBL311722

SCHEMBL311722

CCOC(=O)Nc1cc(O)c(O)cc1-c1cc(=O)c2nccnc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MAOB P27338 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.35
DPP4 P27487 1/20 0.35
ELANE P08246 1/20 0.34
RECQL P46063 1/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 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
SCHEMBL312054 0.88 MAOB (0.39) ALDH1A1HPGDHSD17B10KDM4EMAOB
SCHEMBL312665 0.85 MAOB (0.45) ALDH1A1HPGDHSD17B10KDM4EMAOB
SCHEMBL312404 0.85 HPGD (0.45) ALDH1A1HPGDHSD17B10KDM4EMAOB
SCHEMBL311551 0.83 HPGD (0.39) ALDH1A1HPGDHSD17B10KDM4EMAOB
SCHEMBL312315 0.82 HPGD (0.38) ALDH1A1HPGDHSD17B10KDM4EMAOB
SCHEMBL311550 0.81 HPGD (0.38) ALDH1A1HPGDHSD17B10KDM4EMAOB
SCHEMBL311628 0.78 HPGD (0.45) ALDH1A1HPGDHSD17B10KDM4EMAOB
SCHEMBL311578 0.76 HPGD (0.45) ALDH1A1HPGDHSD17B10KDM4EMAOB
SCHEMBL311136 0.76 ABL1 (0.40) ALDH1A1HPGDHSD17B10KDM4EMAOB
SCHEMBL313061 0.76 MAOB (0.38) ALDH1A1HPGDHSD17B10KDM4EMAOB

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