SCHEMBL312228

SCHEMBL312228

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2ccc(F)c(F)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
AKR1B1 P15121 1/20 0.36
HPGD P15428 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
KCNQ4 P56696 2/20 0.35
KCNQ5 Q9NR82 2/20 0.35
ALDH1A1 P00352 4/20 0.35
ALOX15 P16050 1/20 0.35
PLA2G7 Q13093 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 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
SCHEMBL311496 0.88 HPGD (0.41) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL312167 0.86 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2AKR1B1
SCHEMBL312387 0.86 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL312363 0.84 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL311236 0.84 PLA2G7 (0.45) CYP1A2CYP2C9CYP2C19HPGDMEN1
SCHEMBL311421 0.84 MEN1 (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL312241 0.83 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19SMN1; SMN2AKR1B1
SCHEMBL311994 0.83 KMT2A (0.46) CYP1A2CYP2C9CYP2C19SMN1; SMN2AKR1B1
SCHEMBL311883 0.81 GAA (0.46) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL312016 0.81 HPGD (0.51) SMN1; SMN2HPGDMEN1KMT2AHSD17B10

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