SCHEMBL30973752

SCHEMBL30973752

CCC(CC)C(=O)O[C@H]1[C@@H](O)[C@](C#N)(c2ccc3c(NC(=O)c4ccccc4)ncnn23)O[C@@H]1CO

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ EGLN2 Q96KS0 1/20 0.30
▸ ADORA3 P0DMS8 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
SCHEMBL26136509 0.93 TMPRSS2 (0.60) TMPRSS2ALDH1A1EGLN2ADORA3
SCHEMBL24917209 0.93 TMPRSS2 (0.60) TMPRSS2ALDH1A1EGLN2ADORA3
SCHEMBL25909937 0.91 TMPRSS2 (0.59) TMPRSS2ALDH1A1HTTEGLN2ADORA3
SCHEMBL24791240 0.90 TMPRSS2 (0.61) TMPRSS2ALDH1A1HTTEGLN2ADORA3
SCHEMBL24917569 0.90 TMPRSS2 (0.63) TMPRSS2ALDH1A1EGLN2ADORA3
SCHEMBL26136380 0.90 TMPRSS2 (0.63) TMPRSS2ALDH1A1EGLN2ADORA3
SCHEMBL24791233 0.90 TMPRSS2 (0.59) TMPRSS2
SCHEMBL24917096 0.88 TMPRSS2 (0.59) TMPRSS2EGLN2ADORA3
SCHEMBL30973758 0.87 TMPRSS2 (0.50) TMPRSS2HTT
SCHEMBL24789441 0.87 TMPRSS2 (0.60) TMPRSS2ALDH1A1EGLN2ADORA3

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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