SCHEMBL25035409

SCHEMBL25035409

COc1cc(/C=C2\COc3cc(O)ccc3C2=O)ccc1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.80
MAOB P27338 4/20 0.78
APP P05067 2/20 0.73
MIF P14174 4/20 0.70
MAPT P10636 7/20 0.68
ALDH1A1 P00352 4/20 0.68
CYP3A4 P08684 4/20 0.68
MAPK1 P28482 4/20 0.68
KDM4E B2RXH2 3/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
USP2 O75604 2/20 0.68
TP53 P04637 2/20 0.68
HPGD P15428 2/20 0.68
ALOX15 P16050 1/20 0.68
HSD17B10 Q99714 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
GAA P10253 2/20 0.67
RAB9A P51151 2/20 0.67
POLB P06746 2/20 0.67

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
SCHEMBL30274371 1.00 CXCL12 (0.80) CXCL12MAOBAPPMIFMAPT
SCHEMBL5725497 0.92 MAPT (0.77) CXCL12MAOBAPPMIFMAPT
SCHEMBL14160665 0.91 MAPT (0.82) CXCL12MAOBAPPMIFMAPT
SCHEMBL14160753 0.90 MAPT (0.84) CXCL12MAOBAPPMIFMAPT
SCHEMBL25502273 0.90 MAPT (0.84) CXCL12MAOBAPPMIFMAPT
SCHEMBL5726073 0.88 MAOB (0.72) CXCL12MAOBAPPMIFMAPT
SCHEMBL5725448 0.86 MAOB (0.67) CXCL12MAOBAPPMIFMAPT
SCHEMBL5724831 0.86 MAOB (0.67) CXCL12MAOBAPPMIFMAPT
Sappanone A SCHEMBL2521583 0.86 MIF (0.80) CXCL12MAOBAPPMIFMAPT
Sappanone A SCHEMBL29651769 0.86 MIF (0.80) CXCL12MAOBAPPMIFMAPT

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