SCHEMBL23696910

SCHEMBL23696910

CCC(CC)COC(=O)C(C)NP(OC[C@H]1OC(C#N)(c2ccc3c(N)ncnn23)C(O)C1O)Oc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.40
▸ RIPK1 Q13546 3/20 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
SCHEMBL24148773 0.89 TMPRSS2 (0.39) TMPRSS2RIPK1
SCHEMBL24149421 0.87 TMPRSS2 (0.37) TMPRSS2
SCHEMBL25608141 0.87 TMPRSS2 (0.41) TMPRSS2
Remdesivir SCHEMBL23685886 0.85 TMPRSS2 (0.40) TMPRSS2RIPK1
Remdesivir SCHEMBL20500116 0.85 TMPRSS2 (0.40) TMPRSS2RIPK1
Remdesivir SCHEMBL17712269 0.85 TMPRSS2 (0.40) TMPRSS2RIPK1
Remdesivir SCHEMBL24611640 0.85 TMPRSS2 (0.40) TMPRSS2RIPK1
Remdesivir SCHEMBL24494884 0.85 TMPRSS2 (0.40) TMPRSS2RIPK1
Remdesivir SCHEMBL22143154 0.85 TMPRSS2 (0.40) TMPRSS2RIPK1
Remdesivir SCHEMBL24494885 0.85 TMPRSS2 (0.40) TMPRSS2RIPK1

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-2021147236-A1 USE OF SUBSTITUTED AMINOPROPIONATE COMPOUND IN TREATMENT OF SARS-COV-2 INFECTIONS 中国人民解放军军事科学院军事医学研究院 2021-07-29 — — WO disclosed
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