SCHEMBL313410

SCHEMBL313410

CCOC(=O)Nc1cc(O)ccc1-c1nc(=O)c2c(O)cccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
AGPAT2 O15120 2/20 0.43
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
GLA P06280 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 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
SCHEMBL311616 0.87 KDM4E (0.52) MAOBAGPAT2MAPTRAB9AHPGD
SCHEMBL312286 0.86 MAOB (0.44) MAOBAGPAT2NPC1HPGDKDM4E
SCHEMBL312986 0.85 MAOB (0.47) MAOBAGPAT2NPC1RAB9AHPGD
SCHEMBL313237 0.85 MAOB (0.47) MAOBAGPAT2NPC1RAB9AHPGD
SCHEMBL313004 0.82 ATM (0.52) MAOBMAPTHPGDKDM4EHSD17B10
SCHEMBL311430 0.77 KDM4E (0.53) MAOBAGPAT2NPC1MAPTRAB9A
SCHEMBL312367 0.74 KDM4E (0.52) MAOBNPC1MAPTRAB9AHPGD
SCHEMBL311753 0.73 ALDH1A1 (0.43) MAOBMAPTHPGDKDM4EHSD17B10
SCHEMBL311431 0.73 HPGD (0.46) MAOBNPC1MAPTHPGDKDM4E
SCHEMBL313540 0.73 MAPT (0.41) MAOBMAPTHPGDKDM4EPOLB

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