SCHEMBL23559520

SCHEMBL23559520

C/C=C1\C(CC(=O)O)C(C(=O)O)=CO[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.56
▸ IL2 P60568 1/20 0.54
▸ MAPT P10636 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ STAT3 P40763 8/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ PTPN1 P18031 1/20 0.39

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
SCHEMBL23521502 1.00 BACE1 (0.56) BACE1IL2MAPTPOLBKDM4E
SCHEMBL29426034 0.91 BACE1 (0.67) BACE1IL2MAPTPOLBKDM4E
SCHEMBL29425877 0.91 BACE1 (0.67) BACE1IL2MAPTPOLBKDM4E
SCHEMBL23494908 0.91 BACE1 (0.67) BACE1IL2MAPTPOLBKDM4E
SCHEMBL23521505 0.91 BACE1 (0.62) BACE1IL2MAPTPOLBKDM4E
SCHEMBL23559632 0.91 MAPT (0.48) BACE1IL2MAPTPOLBKDM4E
SCHEMBL24305717 0.86 MAPT (0.54) BACE1IL2MAPTPOLBKDM4E
SCHEMBL24305979 0.86 MAPT (0.52) BACE1IL2MAPTPOLBKDM4E
SCHEMBL24276877 0.86 BACE1 (0.54) BACE1IL2MAPTPOLBKDM4E
SCHEMBL24276811 0.84 BACE1 (0.70) 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
EP-3838885-B1 PROCESS FOR THE PRODUCTION OF OLEOCANTHAL, OLEACEIN AND THEIR ANALOGUES NATIONAL AND KAPODISTRIAN UNIV OF ATHENS (GR) 2022-06-29 — — EP disclosed
WO-2021121925-A1 PROCESS FOR THE PRODUCTION OF OLEOCANTHAL, OLEACEIN AND THEIR ANALOGUES NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2021-06-24 — — WO disclosed
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