SCHEMBL16307160

SCHEMBL16307160

C/C=C1/C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(N)=O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.66
▸ IL2 P60568 1/20 0.63
▸ MAPT P10636 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ STAT3 P40763 13/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.48

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
Oleoside Dimethyl Ester SCHEMBL21324467 0.91 BACE1 (0.71) BACE1IL2MAPTPOLBKDM4E
Oleoside Dimethyl Ester SCHEMBL19831306 0.91 BACE1 (0.71) BACE1IL2MAPTPOLBKDM4E
SCHEMBL29425877 0.91 BACE1 (0.67) BACE1IL2MAPTPOLBKDM4E
Oleoside Dimethyl Ester SCHEMBL29425902 0.91 BACE1 (0.71) BACE1IL2MAPTPOLBKDM4E
SCHEMBL29426034 0.91 BACE1 (0.67) BACE1IL2MAPTPOLBKDM4E
SCHEMBL23494908 0.91 BACE1 (0.67) BACE1IL2MAPTPOLBKDM4E
SCHEMBL12405934 0.87 BACE1 (0.75) BACE1IL2MAPTPOLBKDM4E
Excelside A SCHEMBL29425857 0.87 IL2 (0.72) BACE1IL2MAPTPOLBKDM4E
SCHEMBL24556696 0.85 BACE1 (0.59) BACE1IL2MAPTPOLBKDM4E
SCHEMBL23544471 0.85 BACE1 (0.59) BACE1IL2MAPTPOLBKDM4E

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-2014198842-A1 COMBINATION OF PENTACYCLIC TRITERPENES AND HYDROXYTYROSOL AND DERIVATIVES THEREOF NATAC BIOTECH, S.L (ES) 2014-12-18 — — WO disclosed
EP-2813221-A1 Combination of pentacyclic triterpenes and hydroxytyrosol and derivatives thereof Natac Biotech, S.L. (ES) 2014-12-17 — — EP disclosed
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