SCHEMBL30973740

SCHEMBL30973740

CCCCCOC(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](CO)[C@@H](OC(=O)C(CC)CC)[C@H]3O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.49
▸ LMNA P02545 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
SCHEMBL24791262 0.94 TMPRSS2 (0.49) TMPRSS2LMNA
SCHEMBL25314585 0.94 TMPRSS2 (0.49) TMPRSS2LMNA
SCHEMBL24917220 0.92 TMPRSS2 (0.51) TMPRSS2LMNA
SCHEMBL24791243 0.91 TMPRSS2 (0.50) TMPRSS2LMNA
SCHEMBL24789425 0.91 TMPRSS2 (0.49) TMPRSS2
SCHEMBL25427153 0.90 TMPRSS2 (0.48) TMPRSS2
SCHEMBL24789758 0.90 TMPRSS2 (0.48) TMPRSS2
SCHEMBL30973758 0.90 TMPRSS2 (0.50) TMPRSS2
SCHEMBL23959928 0.88 TMPRSS2 (0.61) TMPRSS2LMNA
SCHEMBL24791246 0.88 TMPRSS2 (0.47) 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-2024129963-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2024-06-20 — — WO disclosed
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