SCHEMBL23559632

SCHEMBL23559632

O=C(O)C[C@@H]1C(C(=O)O)=CO[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)/C1=C/O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ BACE1 P56817 1/20 0.47
▸ IL2 P60568 1/20 0.45
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ STAT3 P40763 7/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CTDSP1 Q9GZU7 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
SCHEMBL23559520 0.91 BACE1 (0.56) MAPTBACE1IL2POLBKDM4E
SCHEMBL23521502 0.91 BACE1 (0.56) MAPTBACE1IL2POLBKDM4E
SCHEMBL23559535 0.90 BACE1 (0.54) MAPTBACE1IL2POLBKDM4E
SCHEMBL29426034 0.82 BACE1 (0.67) MAPTBACE1IL2POLBKDM4E
SCHEMBL29425877 0.82 BACE1 (0.67) MAPTBACE1IL2POLBKDM4E
SCHEMBL23494908 0.82 BACE1 (0.67) MAPTBACE1IL2POLBKDM4E
SCHEMBL23521505 0.82 BACE1 (0.62) MAPTBACE1IL2POLBKDM4E
SCHEMBL23559524 0.81 BACE1 (0.75) MAPTBACE1IL2POLBKDM4E
SCHEMBL24305979 0.79 MAPT (0.52) MAPTBACE1IL2POLBKDM4E
SCHEMBL24305717 0.79 MAPT (0.54) MAPTBACE1IL2POLBKDM4E

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-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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