SCHEMBL311847

SCHEMBL311847

CCOC(=O)Nc1cc(O)ccc1-c1coc2ccncc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 6/20 0.41
MAOB P27338 4/20 0.40
KDM4E B2RXH2 8/20 0.40
HPGD P15428 8/20 0.40
HSD17B10 Q99714 7/20 0.40
ALDH1A1 P00352 6/20 0.40
USP2 O75604 2/20 0.40
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CYP3A4 P08684 2/20 0.39
MAOA P21397 2/20 0.39
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL312735 0.92 ALDH2 (0.43) ALDH2MAOBKDM4EHPGDHSD17B10
SCHEMBL10215504 0.86 MAOB (0.52) ALDH2MAOBKDM4EHPGDHSD17B10
SCHEMBL312060 0.81 HPGD (0.44) MAOBKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL312824 0.81 HPGD (0.40) ALDH2MAOBKDM4EHPGDHSD17B10
SCHEMBL312118 0.81 MAOB (0.43) ALDH2MAOBKDM4EHPGDHSD17B10
SCHEMBL311364 0.77 HPGD (0.44) MAOBKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL311578 0.72 HPGD (0.45) MAOBKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL311616 0.71 KDM4E (0.52) MAOBKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL313350 0.71 KDM4E (0.44) MAOBKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL311741 0.71 KDM4E (0.40) MAOBKDM4EHPGDHSD17B10ALDH1A1

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