SCHEMBL4737972

SCHEMBL4737972

CCOc1ccc2c(c1)OC/C(=C\c1ccc(OC)c(O)c1)C2=O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.83
CYP3A4 P08684 3/20 0.83
ALDH1A1 P00352 3/20 0.83
TP53 P04637 2/20 0.83
MAPK1 P28482 2/20 0.83
HPGD P15428 2/20 0.83
KDM4E B2RXH2 1/20 0.83
MEN1 O00255 1/20 0.83
USP2 O75604 1/20 0.83
ALOX15 P16050 1/20 0.83
KMT2A Q03164 1/20 0.83
HSD17B10 Q99714 1/20 0.83
TDP1 Q9NUW8 1/20 0.83
MAOB P27338 11/20 0.69
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
CXCL12 P48061 1/20 0.60
ATM Q13315 1/20 0.55
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54

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
SCHEMBL4735285 0.92 MAPT (0.83) MAPTCYP3A4ALDH1A1TP53MAPK1
Sappanone A Dimethyl Ether SCHEMBL4734315 0.91 MAPT (1.00) MAPTCYP3A4ALDH1A1TP53MAPK1
Sappanone A Dimethyl Ether SCHEMBL16636357 0.91 MAPT (1.00) MAPTCYP3A4ALDH1A1TP53MAPK1
SCHEMBL14160665 0.85 MAPT (0.82) MAPTCYP3A4ALDH1A1TP53MAPK1
SCHEMBL5724831 0.83 MAOB (0.67) MAPTCYP3A4ALDH1A1TP53MAPK1
SCHEMBL5725448 0.83 MAOB (0.67) MAPTCYP3A4ALDH1A1TP53MAPK1
SCHEMBL14160753 0.82 MAPT (0.84) MAPTCYP3A4ALDH1A1TP53MAPK1
SCHEMBL25502273 0.82 MAPT (0.84) MAPTCYP3A4ALDH1A1TP53MAPK1
Sappanone A 7-Methyl Ether SCHEMBL14479894 0.82 MAPT (1.00) MAPTCYP3A4ALDH1A1TP53MAPK1
SCHEMBL4782729 0.82 MAOB (1.00) MAPTCYP3A4ALDH1A1TP53MAPK1

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
WO-2008067451-A1 NOVEL 3-BENZYLIDINE AND 3-BENZYL SUBSTITUTED CHROMANONES ITHERX PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
WO-2008067451-A1 NOVEL 3-BENZYLIDINE AND 3-BENZYL SUBSTITUTED CHROMANONES ITHERX PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed