SCHEMBL30973758

SCHEMBL30973758

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

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.50
▸ HTT P42858 1/20 0.30
▸ NCOA1 Q15788 1/20 0.30
▸ NCOA3 Q9Y6Q9 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
SCHEMBL30973740 0.90 TMPRSS2 (0.49) TMPRSS2
SCHEMBL24789764 0.89 TMPRSS2 (0.52) TMPRSS2
SCHEMBL30973751 0.87 TMPRSS2 (0.49) TMPRSS2
SCHEMBL30973752 0.87 TMPRSS2 (0.59) TMPRSS2HTT
SCHEMBL24791264 0.86 TMPRSS2 (0.48) TMPRSS2HTTNCOA1NCOA3
SCHEMBL25913894 0.86 TMPRSS2 (0.48) TMPRSS2HTTNCOA1NCOA3
SCHEMBL24791263 0.86 TMPRSS2 (0.54) TMPRSS2
SCHEMBL24791237 0.86 TMPRSS2 (0.51) TMPRSS2
SCHEMBL25317656 0.86 TMPRSS2 (0.51) TMPRSS2
SCHEMBL24917004 0.86 TMPRSS2 (0.65) TMPRSS2HTTNCOA1NCOA3

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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