SCHEMBL16349802

SCHEMBL16349802

CC(=O)C(=O)[C@@H]1CCCCCCCCOC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.31
▸ GAA P10253 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
SCHEMBL16349813 1.00 NAAA (0.31) NAAAGAA
SCHEMBL8291448 0.95 NAAA (0.30) NAAA
SCHEMBL16349736 0.89 NAAA (0.30) NAAA
SCHEMBL16349817 0.89 NAAA (0.30) NAAA
SCHEMBL16315715 0.87 GAA (0.35) GAA
SCHEMBL16349581 0.87 GAA (0.35) GAA
SCHEMBL16349734 0.87 GAA (0.35) GAA
SCHEMBL16349814 0.87 — —
SCHEMBL16349801 0.87 — —
SCHEMBL13685065 0.83 — —

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-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
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