SCHEMBL312485

SCHEMBL312485

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2cnc(O)nc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 3/20 0.39
LMNA P02545 1/20 0.39
MAOB P27338 1/20 0.39
ELANE P08246 1/20 0.38
AKR1B1 P15121 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
DPP4 P27487 1/20 0.34
MIF P14174 2/20 0.33
AGPAT2 O15120 1/20 0.33
PFKFB3 Q16875 1/20 0.33

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 0.86 AKR1B1 (0.40) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL311390 0.86 AKR1B1 (0.41) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL311904 0.86 HPGD (0.40) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL313600 0.85 MAOB (0.41) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL312381 0.83 HPGD (0.44) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL311620 0.83 AKR1B1 (0.43) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL312452 0.83 MAOB (0.39) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL312179 0.83 MAOB (0.39) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL312670 0.82 HPGD (0.42) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL312054 0.81 MAOB (0.39) HPGDKDM4EHSD17B10LMNAMAOB

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