SCHEMBL311889

SCHEMBL311889

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2c(O)ccc(O)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
MAOB P27338 1/20 0.35
TNIK Q9UKE5 1/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 6/20 0.34
HPGD P15428 3/20 0.34

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
SCHEMBL311753 0.85 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL311236 0.85 PLA2G7 (0.45) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL312167 0.85 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL311043 0.85 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL312387 0.85 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL312382 0.84 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL312303 0.81 TUBB4A (0.40) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL312241 0.81 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL311883 0.81 GAA (0.46) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL312228 0.80 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1

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