SCHEMBL311550

SCHEMBL311550

CCOC(=O)Nc1cc(O)c(O)cc1-c1cc(=O)c2cncnc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 1/20 0.38
MAOB P27338 1/20 0.36
DPP4 P27487 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ELANE P08246 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL312471 0.88 AKR1B1 (0.40) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL313031 0.85 HPGD (0.38) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL312315 0.84 HPGD (0.38) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL312404 0.84 HPGD (0.45) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL311578 0.82 HPGD (0.45) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL311722 0.81 ALDH1A1 (0.38) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL311628 0.80 HPGD (0.45) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL311129 0.77 HPGD (0.63) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL311904 0.76 HPGD (0.40) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL312485 0.74 HPGD (0.39) HPGDALDH1A1KDM4EHSD17B10LMNA

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