SCHEMBL4782729

SCHEMBL4782729

COc1ccc(C=C2COc3ccccc3C2=O)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 1.00
MAPT P10636 3/20 0.80
ALDH1A1 P00352 2/20 0.80
HPGD P15428 2/20 0.80
ATM Q13315 2/20 0.80
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
TDP1 Q9NUW8 2/20 0.76
CYP3A4 P08684 2/20 0.76
KDM4E B2RXH2 1/20 0.76
USP2 O75604 1/20 0.76
TP53 P04637 1/20 0.76
ALOX15 P16050 1/20 0.76
MAPK1 P28482 1/20 0.76
HSD17B10 Q99714 1/20 0.76
MAOA P21397 2/20 0.74
MIF P14174 3/20 0.69
POLB P06746 1/20 0.68
STK17B O94768 1/20 0.66
ACHE P22303 1/20 0.64

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
SCHEMBL4736630 1.00 MAOB (1.00) MAOBMAPTALDH1A1HPGDATM
SCHEMBL14160665 0.87 MAPT (0.82) MAOBMAPTALDH1A1HPGDATM
SCHEMBL29531186 0.86 MAOB (0.76) MAOBMAPTALDH1A1HPGDATM
Sappanone A Dimethyl Ether SCHEMBL4734315 0.86 MAPT (1.00) MAOBMAPTALDH1A1HPGDATM
SCHEMBL4732781 0.86 MAOB (0.76) MAOBMAPTALDH1A1HPGDATM
Sappanone A Dimethyl Ether SCHEMBL16636357 0.86 MAPT (1.00) MAOBMAPTALDH1A1HPGDATM
SCHEMBL4735325 0.85 MAOB (0.74) MAOBMAPTALDH1A1HPGDATM
SCHEMBL4735523 0.85 MAOB (0.74) MAOBMAPTALDH1A1HPGDATM
SCHEMBL4781277 0.84 MAPT (0.81) MAOBMAPTALDH1A1HPGDATM
SCHEMBL4781279 0.84 MAPT (0.81) MAOBMAPTALDH1A1HPGDATM

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 1 patent. 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