SCHEMBL312387

SCHEMBL312387

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNQ3 O43525 3/20 0.35
KCNQ2 O43526 3/20 0.35
KCNQ4 P56696 2/20 0.35
KCNQ5 Q9NR82 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
NLRP3 Q96P20 1/20 0.34
MAOB P27338 1/20 0.34
TNIK Q9UKE5 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
CHRM3 P20309 1/20 0.33

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 0.86 HPGD (0.41) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL312297 0.86 NLRP3 (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL312228 0.86 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL312363 0.86 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL311889 0.85 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL311592 0.84 NPC1 (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL311421 0.82 MEN1 (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL312382 0.80 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL312167 0.80 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL311236 0.80 PLA2G7 (0.45) CYP1A2CYP2C9CYP2C19MEN1KMT2A

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