SCHEMBL14845671

SCHEMBL14845671

CCC(CC)COC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OCC(CC)CC)OCC1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@](C)(O)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.33

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
SCHEMBL10142401 1.00 TMPRSS2 (0.33) TMPRSS2
SCHEMBL10142407 0.93 TMPRSS2 (0.34) TMPRSS2
SCHEMBL10142790 0.92 TMPRSS2 (0.30) TMPRSS2
SCHEMBL10142778 0.90 TMPRSS2 (0.34) TMPRSS2
SCHEMBL10120250 0.90 CYP3A4 (0.36) TMPRSS2
SCHEMBL10142598 0.90 CYP3A4 (0.36) TMPRSS2
SCHEMBL14845682 0.89 TMPRSS2 (0.33) TMPRSS2
SCHEMBL22096270 0.88 TMPRSS2 (0.44) TMPRSS2
SCHEMBL17215150 0.86 TMPRSS2 (0.33) TMPRSS2
SCHEMBL22096276 0.85 POLRMT (0.33) 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
US-8415308-B2 1′-substituted-carba-nucleoside prodrugs for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-04-09 — — US disclosed
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