SCHEMBL312609

SCHEMBL312609

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2cc(O)cc(O)c2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 3/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AKR1B1 P15121 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAOB P27338 1/20 0.39
CYP1A2 P05177 1/20 0.39
TYR P14679 1/20 0.39
PTPN1 P18031 1/20 0.39
PTGS1 P23219 1/20 0.39
BACE1 P56817 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39

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
SCHEMBL311431 0.89 HPGD (0.46) HPGDKDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL311741 0.87 KDM4E (0.40) HPGDKDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL311791 0.86 HPGD (0.51) HPGDKDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL311784 0.84 AKR1B1 (0.46) HPGDKDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL313540 0.84 MAPT (0.41) HPGDKDM4ESMN1; SMN2CYP2C19CYP2C9
SCHEMBL312223 0.84 AKR1B1 (0.56) HPGDKDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL312477 0.83 BACE1 (0.61) HPGDKDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL312020 0.83 HPGD (0.40) HPGDKDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL324201 0.82 HPGD (0.61) HPGDKDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL311904 0.82 HPGD (0.40) HPGDKDM4EHSD17B10LMNASMN1; SMN2

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