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Sugi Predict / Compounds / SCHEMBL21046219

SCHEMBL21046219

SCHEMBL21046219

C=C1[C@H]2CC[C@H]3[C@]4(C)C[C@H](O[C@@H]5O[C@H](CO)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]5OC(=O)CC(C)C)C[C@@H](C(=O)O)[C@H]4CC[C@]3(C2)[C@H]1O.[KH].[KH].[KH].[KH]

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.89
▸ HPSE Q9Y251 5/20 0.33

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
SCHEMBL3765566 1.00 MAPT (0.89) MAPTHPSE
SCHEMBL20456989 1.00 MAPT (0.89) MAPTHPSE
SCHEMBL15634985 0.99 MAPT (0.88) MAPTHPSE
Potassium Ion SCHEMBL28493998 0.94 MAPT (1.00) MAPTHPSE
Potassium Ion SCHEMBL380009 0.94 MAPT (1.00) MAPTHPSE
Potassium Ion SCHEMBL29767873 0.94 MAPT (1.00) MAPTHPSE
Potassium Ion SCHEMBL30190052 0.94 MAPT (1.00) MAPTHPSE
Water SCHEMBL6357796 0.94 MAPT (0.99) MAPTHPSE
SCHEMBL19255997 0.93 MAPT (0.78) MAPTHPSE
SCHEMBL25014383 0.88 MAPT (0.78) MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200056203-A1 Treating Animal Cancers Through Programmed Cancer Cell Death POSTREL RICHARD (US) 2020-02-20 — — US claimed
US-20190169636-A1 Directing Cancer Cells to Self-Destruct Through Vectoring Engineered Viruses POSTREL RICHARD (US) 2019-06-06 — — US claimed
US-20200056203-A1 Treating Animal Cancers Through Programmed Cancer Cell Death POSTREL RICHARD (US) 2020-02-20 — — US disclosed
US-20190169636-A1 Directing Cancer Cells to Self-Destruct Through Vectoring Engineered Viruses POSTREL RICHARD (US) 2019-06-06 — — US disclosed
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