SCHEMBL312735

SCHEMBL312735

CCOC(=O)Nc1cc(O)ccc1-c1coc2cnccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 6/20 0.43
KDM4E B2RXH2 7/20 0.42
HPGD P15428 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 5/20 0.42
USP2 O75604 2/20 0.42
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MAOB P27338 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAOA P21397 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.40
BRAF P15056 1/20 0.40
EIF2AK3 Q9NZJ5 1/20 0.40
GAA P10253 1/20 0.39
ADORA2A P29274 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
SCHEMBL311847 0.92 ALDH2 (0.41) ALDH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL10215504 0.86 MAOB (0.52) ALDH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL311364 0.81 HPGD (0.44) KDM4EHPGDALDH1A1HSD17B10ALOX15
SCHEMBL312118 0.81 MAOB (0.43) ALDH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL312824 0.81 HPGD (0.40) ALDH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL312060 0.77 HPGD (0.44) KDM4EHPGDALDH1A1HSD17B10MAOB
SCHEMBL311628 0.72 HPGD (0.45) KDM4EHPGDALDH1A1HSD17B10USP2
SCHEMBL311616 0.71 KDM4E (0.52) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL311739 0.71 KDM4E (0.44) KDM4EHPGDALDH1A1HSD17B10TRPV1
SCHEMBL312748 0.71 TYR (0.44) KDM4EHPGDHSD17B10MAOBSMN1; 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