Sappanone A Trimethyl Ether

Sappanone A Trimethyl Ether

SCHEMBL25035400

COc1ccc2c(c1)OC/C(=C\c1ccc(OC)c(OC)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
LMNA P02545 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
HPGD P15428 2/20 0.81
KDM4E B2RXH2 2/20 0.81
KMT2A Q03164 2/20 0.81
MEN1 O00255 1/20 0.81
USP2 O75604 1/20 0.81
ALOX15 P16050 1/20 0.81
HSD17B10 Q99714 1/20 0.81
TDP1 Q9NUW8 1/20 0.81
ATM Q13315 1/20 0.74
APP P05067 1/20 0.67
MAOB P27338 10/20 0.66
CXCL12 P48061 1/20 0.63
NPC1 O15118 1/20 0.60

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 Trimethyl Ether SCHEMBL14479888 1.00 MAPT (1.00) MAPTALDH1A1CYP3A4TP53MAPK1
Sappanone A Trimethyl Ether SCHEMBL30274257 1.00 MAPT (1.00) MAPTALDH1A1CYP3A4TP53MAPK1
Sappanone A Dimethyl Ether SCHEMBL4734315 0.90 MAPT (1.00) MAPTALDH1A1CYP3A4TP53MAPK1
Sappanone A Dimethyl Ether SCHEMBL16636357 0.90 MAPT (1.00) MAPTALDH1A1CYP3A4TP53MAPK1
SCHEMBL25502273 0.90 MAPT (0.84) MAPTALDH1A1CYP3A4TP53MAPK1
SCHEMBL14160753 0.90 MAPT (0.84) MAPTALDH1A1CYP3A4TP53MAPK1
SCHEMBL14160679 0.90 MAPT (0.80) MAPTALDH1A1CYP3A4TP53MAPK1
SCHEMBL5725497 0.87 MAPT (0.77) MAPTALDH1A1CYP3A4TP53MAPK1
Sappanone A 7-Methyl Ether SCHEMBL14479894 0.85 MAPT (1.00) MAPTALDH1A1CYP3A4TP53MAPK1
SCHEMBL8785149 0.84 MAOB (0.73) 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-2023017548-A1 FUSED TETRACYCLIC COMPOUNDS, COMPOSITIONS AND DIAGNOSTIC APPLICATIONS THEREOF BENAZIR J DR FATHIMA (IN) 2023-02-16 WO disclosed