Sappanone A Dimethyl Ether

Sappanone A Dimethyl Ether

SCHEMBL16636357

COc1ccc2c(c1)OCC(=Cc1ccc(OC)c(O)c1)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
ALDH1A1 P00352 4/20 1.00
CYP3A4 P08684 3/20 1.00
TP53 P04637 2/20 1.00
MAPK1 P28482 2/20 1.00
HPGD P15428 2/20 1.00
KDM4E B2RXH2 2/20 1.00
KMT2A Q03164 2/20 1.00
MEN1 O00255 1/20 1.00
USP2 O75604 1/20 1.00
ALOX15 P16050 1/20 1.00
HSD17B10 Q99714 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
LMNA P02545 1/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
MAOB P27338 11/20 0.76
CXCL12 P48061 1/20 0.66
MIF P14174 2/20 0.64
ATM Q13315 1/20 0.60
NPC1 O15118 1/20 0.57

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
Sappanone A Dimethyl Ether SCHEMBL4734315 1.00 MAPT (1.00) MAPTALDH1A1CYP3A4TP53MAPK1
SCHEMBL25502273 0.91 MAPT (0.84) MAPTALDH1A1CYP3A4TP53MAPK1
SCHEMBL14160753 0.91 MAPT (0.84) MAPTALDH1A1CYP3A4TP53MAPK1
Sappanone A 7-Methyl Ether SCHEMBL14479894 0.91 MAPT (1.00) MAPTALDH1A1CYP3A4TP53MAPK1
SCHEMBL4737972 0.91 MAPT (0.83) MAPTALDH1A1CYP3A4TP53MAPK1
SCHEMBL4735285 0.91 MAPT (0.83) MAPTALDH1A1CYP3A4TP53MAPK1
SCHEMBL14160665 0.90 MAPT (0.82) MAPTALDH1A1CYP3A4TP53MAPK1
Sappanone A Trimethyl Ether SCHEMBL25035400 0.90 MAPT (1.00) MAPTALDH1A1CYP3A4TP53MAPK1
Sappanone A Trimethyl Ether SCHEMBL30274257 0.90 MAPT (1.00) MAPTALDH1A1CYP3A4TP53MAPK1
Sappanone A Trimethyl Ether SCHEMBL14479888 0.90 MAPT (1.00) MAPTALDH1A1CYP3A4TP53MAPK1

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-2015051447-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2015-04-16 WO disclosed