SCHEMBL311628

SCHEMBL311628

CCOC(=O)Nc1cc(O)c(O)cc1-c1cc(=O)c2ccncc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 3/20 0.45
LMNA P02545 1/20 0.45
BRAF P15056 6/20 0.42
EIF2AK3 Q9NZJ5 5/20 0.42
ALDH1A1 P00352 4/20 0.40
MAOB P27338 1/20 0.40
TNKS O95271 1/20 0.39
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
BLM P54132 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 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
SCHEMBL311578 0.92 HPGD (0.45) HPGDKDM4EHSD17B10LMNABRAF
SCHEMBL311364 0.89 HPGD (0.44) HPGDKDM4EHSD17B10LMNABRAF
SCHEMBL311129 0.85 HPGD (0.63) HPGDKDM4EHSD17B10LMNAALDH1A1
SCHEMBL311739 0.85 KDM4E (0.44) HPGDKDM4EHSD17B10LMNABRAF
SCHEMBL312315 0.82 HPGD (0.38) HPGDKDM4EHSD17B10LMNAALDH1A1
SCHEMBL312060 0.81 HPGD (0.44) HPGDKDM4EHSD17B10LMNABRAF
SCHEMBL312665 0.80 MAOB (0.45) HPGDKDM4EHSD17B10LMNAALDH1A1
SCHEMBL311550 0.80 HPGD (0.38) HPGDKDM4EHSD17B10LMNAALDH1A1
SCHEMBL312404 0.80 HPGD (0.45) HPGDKDM4EHSD17B10LMNAALDH1A1
SCHEMBL311722 0.78 ALDH1A1 (0.38) HPGDKDM4EHSD17B10LMNAALDH1A1

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