SCHEMBL311236

SCHEMBL311236

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2cccc(O)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 12/20 0.45
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL311496 0.90 HPGD (0.41) PLA2G7HPGDALDH1A1KDM4ELMNA
SCHEMBL312167 0.88 CYP1A2 (0.38) HPGDALDH1A1KDM4ELMNAHSD17B10
SCHEMBL311889 0.85 CYP1A2 (0.40) HPGDALDH1A1KDM4ELMNAHSD17B10
SCHEMBL10215441 0.85 KDM4E (0.45) HPGDALDH1A1KDM4ETDP1LMNA
SCHEMBL312228 0.84 CYP1A2 (0.37) PLA2G7HPGDALDH1A1KDM4ELMNA
SCHEMBL311753 0.84 ALDH1A1 (0.43) HPGDALDH1A1KDM4ELMNAHSD17B10
SCHEMBL312303 0.83 TUBB4A (0.40) HPGDALDH1A1KDM4ELMNAHSD17B10
SCHEMBL311883 0.83 GAA (0.46) HPGDALDH1A1KDM4ELMNAHSD17B10
SCHEMBL312241 0.83 ALDH1A1 (0.43) HPGDALDH1A1KDM4ELMNAHSD17B10
SCHEMBL312387 0.80 CYP1A2 (0.38) HPGDALDH1A1KDM4EHSD17B10MEN1

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