SCHEMBL30973794

SCHEMBL30973794

CC(C)[C@H](N)C(=O)O[C@H]1[C@@H](O)[C@](C#N)(c2ccc3c(NC(=O)[C@H](C)C(C)C)ncnn23)O[C@@H]1COC(=O)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.42

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
SCHEMBL30973778 1.00 TMPRSS2 (0.42) TMPRSS2
SCHEMBL24789456 0.96 TMPRSS2 (0.42) TMPRSS2
SCHEMBL30603770 0.94 TMPRSS2 (0.41) TMPRSS2
SCHEMBL26528130 0.94 TMPRSS2 (0.41) TMPRSS2
SCHEMBL30973792 0.94 TMPRSS2 (0.41) TMPRSS2
SCHEMBL30973757 0.94 TMPRSS2 (0.41) TMPRSS2
SCHEMBL30973723 0.94 TMPRSS2 (0.41) TMPRSS2
SCHEMBL30973800 0.94 TMPRSS2 (0.41) TMPRSS2
SCHEMBL24789457 0.94 TMPRSS2 (0.42) TMPRSS2
SCHEMBL30973796 0.93 TMPRSS2 (0.41) 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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