SCHEMBL311971

SCHEMBL311971

CCOC(=O)Nc1cc(O)cnc1-c1cc(=O)c2ccc(O)cc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.51
HPGD P15428 6/20 0.45
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 4/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 3/20 0.44
QPCT Q16769 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP19A1 P11511 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
MPO P05164 1/20 0.44
MAPK1 P28482 1/20 0.44
IP6K2 Q9UHH9 1/20 0.44
TNKS O95271 3/20 0.43
TNKS2 Q9H2K2 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP2C9 P11712 2/20 0.43

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
SCHEMBL311598 0.92 CSNK2A2 (0.46) AKR1B1HPGDKDM4EHSD17B10LMNA
SCHEMBL312875 0.90 KDM4E (0.58) HPGDKDM4EHSD17B10LMNAALDH1A1
SCHEMBL312223 0.84 AKR1B1 (0.56) AKR1B1HPGDKDM4EHSD17B10LMNA
SCHEMBL312841 0.83 AKR1B1 (0.50) AKR1B1HPGDKDM4EHSD17B10LMNA
SCHEMBL311513 0.83 AR (0.45) HPGDKDM4EHSD17B10LMNAALDH1A1
SCHEMBL312402 0.82 HPGD (0.43) HPGDKDM4EHSD17B10LMNAALDH1A1
SCHEMBL312259 0.80 MAOB (0.40) AKR1B1HPGDKDM4EHSD17B10LMNA
SCHEMBL311620 0.79 AKR1B1 (0.43) AKR1B1HPGDKDM4EHSD17B10LMNA
SCHEMBL311904 0.78 HPGD (0.40) AKR1B1HPGDKDM4EHSD17B10LMNA
SCHEMBL311364 0.77 HPGD (0.44) AKR1B1HPGDKDM4EHSD17B10LMNA

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