SCHEMBL23960097

SCHEMBL23960097

CC(C)C(=O)O[C@H]1C(O)[C@](C#N)(c2ccc3c(N)ncnn23)O[C@@H]1CO

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.48
▸ RIPK1 Q13546 2/20 0.31
▸ POLRMT O00411 1/20 0.30

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
SCHEMBL23960004 1.00 TMPRSS2 (0.48) TMPRSS2RIPK1POLRMT
SCHEMBL23959879 0.93 TMPRSS2 (0.46) TMPRSS2RIPK1
SCHEMBL23960031 0.92 TMPRSS2 (0.42) TMPRSS2RIPK1POLRMT
SCHEMBL23960033 0.92 TMPRSS2 (0.43) TMPRSS2RIPK1
SCHEMBL25429651 0.92 TMPRSS2 (0.42) TMPRSS2RIPK1POLRMT
SCHEMBL24916846 0.91 TMPRSS2 (0.41) TMPRSS2RIPK1
SCHEMBL24789439 0.90 TMPRSS2 (0.40) TMPRSS2RIPK1
SCHEMBL25429186 0.89 TMPRSS2 (0.40) TMPRSS2
SCHEMBL24790940 0.89 TMPRSS2 (0.40) TMPRSS2
SCHEMBL25909384 0.89 TMPRSS2 (0.40) TMPRSS2

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-2021213288-A1 ANTIVIRAL APPLICATION OF NUCLEOSIDE ANALOG OR COMBINATION FORMULATION CONTAINING NUCLEOSIDE ANALOG 中国科学院上海药物研究所 (CN) 2021-10-28 — — WO disclosed
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