SCHEMBL30973773

SCHEMBL30973773

CCCCC(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](CO)[C@@H](OC(=O)CC4CCCCC4)[C@H]3O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL24791242 0.96 TMPRSS2 (0.48) TMPRSS2
SCHEMBL24791268 0.90 TMPRSS2 (0.46) TMPRSS2
SCHEMBL25912442 0.90 TMPRSS2 (0.48) TMPRSS2
SCHEMBL24791744 0.87 TMPRSS2 (0.48) TMPRSS2
SCHEMBL24791264 0.86 TMPRSS2 (0.48) TMPRSS2HTT
SCHEMBL25913894 0.86 TMPRSS2 (0.48) TMPRSS2HTT
SCHEMBL24791245 0.86 TMPRSS2 (0.57) TMPRSS2ALDH1A1
SCHEMBL24917652 0.86 TMPRSS2 (0.57) TMPRSS2ALDH1A1
SCHEMBL24791269 0.86 TMPRSS2 (0.48) TMPRSS2
SCHEMBL24917356 0.86 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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