SCHEMBL13684986

SCHEMBL13684986

CC(C)(C)OC(=O)N[C@@H]1C(=O)N2CC3[C@@H]([C@H]2C(=O)N[C@H](C=O)CCCCCCCCCC1(C)C)C3(C)C

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ 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
SCHEMBL8054288 1.00 GAA (0.30) GAA
SCHEMBL16349819 1.00 GAA (0.30) GAA
SCHEMBL16349815 0.88 BACE1 (0.31) —
SCHEMBL16349738 0.88 BACE1 (0.31) —
SCHEMBL8291255 0.88 BACE1 (0.31) —
SCHEMBL13685296 0.88 BACE1 (0.31) —
SCHEMBL12607811 0.88 GAA (0.36) GAA
SCHEMBL8291134 0.88 GAA (0.36) GAA
SCHEMBL13685159 0.88 GAA (0.36) GAA
SCHEMBL13684892 0.88 GAA (0.36) GAA

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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