SCHEMBL15580680

SCHEMBL15580680

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

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 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
SCHEMBL10142790 0.87 TMPRSS2 (0.30) TMPRSS2
SCHEMBL18636437 0.84 TMPRSS2 (0.43) TMPRSS2
SCHEMBL15580657 0.83 CYP3A4 (0.34) —
SCHEMBL10142742 0.83 CYP3A4 (0.34) —
SCHEMBL20878404 0.83 TMPRSS2 (0.32) TMPRSS2
SCHEMBL14845670 0.82 — —
SCHEMBL10174704 0.82 RIPK1 (0.32) —
SCHEMBL29461488 0.81 TMPRSS2 (0.38) TMPRSS2
SCHEMBL18636611 0.81 TMPRSS2 (0.34) TMPRSS2
SCHEMBL10142368 0.81 TMPRSS2 (0.31) 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
EP-2576534-B1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2014-03-19 — — EP disclosed
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