SCHEMBL312381

SCHEMBL312381

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2cccnc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.44
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
MAOB P27338 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
AKR1B1 P15121 1/20 0.38
TNKS O95271 1/20 0.38
CYP1A2 P05177 1/20 0.37
ELANE P08246 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDR P35968 2/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL312404 0.89 HPGD (0.45) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL311904 0.87 HPGD (0.40) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL312639 0.86 HPGD (0.44) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL312054 0.86 MAOB (0.39) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL312471 0.85 AKR1B1 (0.40) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL311390 0.85 AKR1B1 (0.41) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL311136 0.84 ABL1 (0.40) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL311135 0.84 MAOB (0.44) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL324201 0.84 HPGD (0.61) HPGDKDM4EHSD17B10LMNAMAOB
SCHEMBL312485 0.83 HPGD (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