SCHEMBL312404

SCHEMBL312404

CCOC(=O)Nc1cc(O)c(O)cc1-c1cc(=O)c2cccnc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
MAOB P27338 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TNKS O95271 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL312381 0.89 HPGD (0.44) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL312639 0.85 HPGD (0.44) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL311722 0.85 ALDH1A1 (0.38) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL312665 0.84 MAOB (0.45) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL311550 0.84 HPGD (0.38) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL311129 0.83 HPGD (0.63) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL311578 0.80 HPGD (0.45) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL311628 0.80 HPGD (0.45) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL311904 0.76 HPGD (0.40) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL311136 0.75 ABL1 (0.40) HPGDKDM4EHSD17B10LMNAMAOB

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