SCHEMBL4735523

SCHEMBL4735523

COc1ccc(/C=C2\COc3ccc(F)cc3C2=O)cc1O

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.74
MAPT P10636 3/20 0.69
ALDH1A1 P00352 2/20 0.69
HPGD P15428 2/20 0.69
CYP3A4 P08684 2/20 0.69
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 1/20 0.69
USP2 O75604 1/20 0.69
TP53 P04637 1/20 0.69
ALOX15 P16050 1/20 0.69
MAPK1 P28482 1/20 0.69
KMT2A Q03164 1/20 0.69
HSD17B10 Q99714 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
APP P05067 2/20 0.64
ATM Q13315 1/20 0.59
MIF P14174 1/20 0.56
CXCL12 P48061 1/20 0.56
POLB P06746 1/20 0.55

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
SCHEMBL29531186 0.88 MAOB (0.76) MAOBMAPTALDH1A1HPGDCYP3A4
SCHEMBL4732781 0.88 MAOB (0.76) MAOBMAPTALDH1A1HPGDCYP3A4
SCHEMBL4735325 0.87 MAOB (0.74) MAOBMAPTALDH1A1HPGDCYP3A4
SCHEMBL4736630 0.85 MAOB (1.00) MAOBMAPTALDH1A1HPGDCYP3A4
SCHEMBL4782729 0.85 MAOB (1.00) MAOBMAPTALDH1A1HPGDCYP3A4
SCHEMBL14160665 0.82 MAPT (0.82) MAOBMAPTALDH1A1HPGDCYP3A4
Sappanone A Dimethyl Ether SCHEMBL4734315 0.81 MAPT (1.00) MAOBMAPTALDH1A1HPGDCYP3A4
Sappanone A Dimethyl Ether SCHEMBL16636357 0.81 MAPT (1.00) MAOBMAPTALDH1A1HPGDCYP3A4
SCHEMBL8465775 0.81 APP (0.79) MAOBMAPTALDH1A1HPGDCYP3A4
SCHEMBL8465773 0.81 APP (0.79) MAOBMAPTALDH1A1HPGDCYP3A4

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