SCHEMBL4735285

SCHEMBL4735285

CCOc1ccc(/C=C2\COc3cc(OC)ccc3C2=O)cc1O

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 2/20 0.83
TP53 P04637 2/20 0.83
MAPK1 P28482 2/20 0.83
MEN1 O00255 2/20 0.83
KMT2A Q03164 2/20 0.83
KDM4E B2RXH2 1/20 0.83
USP2 O75604 1/20 0.83
HPGD P15428 1/20 0.83
ALOX15 P16050 1/20 0.83
HSD17B10 Q99714 1/20 0.83
TDP1 Q9NUW8 1/20 0.83
SMN1; SMN2 Q16637 2/20 0.70
LMNA P02545 1/20 0.70
MAOB P27338 8/20 0.63
STK17B O94768 1/20 0.59
CXCL12 P48061 1/20 0.57
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
SCHEMBL4737972 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
Sappanone A 7-Methyl Ether SCHEMBL14479894 0.86 MAPT (1.00) MAPTCYP3A4ALDH1A1TP53MAPK1
SCHEMBL25502273 0.84 MAPT (0.84) MAPTCYP3A4ALDH1A1TP53MAPK1
SCHEMBL14160753 0.84 MAPT (0.84) MAPTCYP3A4ALDH1A1TP53MAPK1
Sappanone A Trimethyl Ether SCHEMBL25035400 0.83 MAPT (1.00) MAPTCYP3A4ALDH1A1TP53MAPK1
Sappanone A Trimethyl Ether SCHEMBL30274257 0.83 MAPT (1.00) MAPTCYP3A4ALDH1A1TP53MAPK1
Sappanone A Trimethyl Ether SCHEMBL14479888 0.83 MAPT (1.00) MAPTCYP3A4ALDH1A1TP53MAPK1
SCHEMBL5725448 0.83 MAOB (0.67) 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