SCHEMBL312986

SCHEMBL312986

CCOC(=O)Nc1cc(O)ccc1-c1nc(=O)c2ccc(O)cc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
AKR1B1 P15121 1/20 0.46
HPGD P15428 6/20 0.45
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 4/20 0.45
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44
AGPAT2 O15120 1/20 0.44
LMNA P02545 1/20 0.42
GLA P06280 2/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
MIF P14174 2/20 0.41

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
SCHEMBL311616 0.93 KDM4E (0.52) MAOBHPGDKDM4EALDH1A1HSD17B10
SCHEMBL313237 0.92 MAOB (0.47) MAOBHPGDKDM4EALDH1A1HSD17B10
SCHEMBL313410 0.85 MAOB (0.48) MAOBHPGDKDM4EALDH1A1HSD17B10
SCHEMBL312286 0.84 MAOB (0.44) MAOBHPGDKDM4EALDH1A1HSD17B10
SCHEMBL311430 0.81 KDM4E (0.53) MAOBHPGDKDM4EALDH1A1HSD17B10
SCHEMBL312223 0.81 AKR1B1 (0.56) MAOBAKR1B1HPGDKDM4EALDH1A1
SCHEMBL312367 0.78 KDM4E (0.52) MAOBHPGDKDM4EALDH1A1HSD17B10
SCHEMBL324201 0.74 HPGD (0.61) MAOBAKR1B1HPGDKDM4EALDH1A1
SCHEMBL311784 0.74 AKR1B1 (0.46) MAOBAKR1B1HPGDKDM4EALDH1A1
SCHEMBL311390 0.74 AKR1B1 (0.41) MAOBAKR1B1HPGDKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838296-B1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP (CA) 2012-08-08 EP disclosed
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