SCHEMBL312824

SCHEMBL312824

CCOC(=O)Nc1cc(O)ccc1-c1coc2ncccc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 4/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
ALDH2 P05091 5/20 0.39
MAOB P27338 3/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
MAOA P21397 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL312118 0.84 MAOB (0.43) HPGDALDH1A1KDM4EALDH2MAOB
SCHEMBL10215504 0.83 MAOB (0.52) HPGDALDH1A1KDM4EGLAPOLB
SCHEMBL312381 0.82 HPGD (0.44) HPGDALDH1A1KDM4EGLAPOLB
SCHEMBL311847 0.81 ALDH2 (0.41) HPGDALDH1A1KDM4EGLAALDH2
SCHEMBL312735 0.81 ALDH2 (0.43) HPGDALDH1A1KDM4EGLAPOLB
SCHEMBL311135 0.74 MAOB (0.44) HPGDALDH1A1KDM4EMAOBHSD17B10
SCHEMBL312054 0.73 MAOB (0.39) HPGDALDH1A1KDM4EMAOBHSD17B10
SCHEMBL312404 0.73 HPGD (0.45) HPGDALDH1A1KDM4EGLAPOLB
SCHEMBL311616 0.72 KDM4E (0.52) HPGDALDH1A1KDM4EGLAPOLB
SCHEMBL312639 0.72 HPGD (0.44) HPGDALDH1A1KDM4EGLAPOLB

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