SCHEMBL13686196

SCHEMBL13686196

COC(=O)[C@@H]1CCCC/C=C\CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2CC3C([C@H]2C(=O)N1)C3(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ PLG P00747 1/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ BACE1 P56817 2/20 0.30
▸ F2 P00734 1/20 0.30
▸ F10 P00742 1/20 0.30
▸ PRSS1 P07477 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
SCHEMBL13685061 1.00 GAA (0.33) GAAPLGPDE4BBACE1F2
SCHEMBL13684888 1.00 GAA (0.33) GAAPLGPDE4BBACE1F2
SCHEMBL12607419 0.92 CTSD (0.35) GAABACE1
SCHEMBL8054841 0.91 MEN1 (0.31) GAAPLGBACE1F2F10
SCHEMBL13684911 0.88 BACE1 (0.33) GAABACE1F2F10PRSS1
SCHEMBL13684914 0.87 GAA (0.33) GAABACE1F2F10PRSS1
SCHEMBL8289664 0.86 GAA (0.32) GAA
SCHEMBL12606636 0.86 MEN1 (0.34) GAAPLGBACE1F2F10
SCHEMBL12606587 0.86 GAA (0.32) GAABACE1F2F10PRSS1
SCHEMBL8289601 0.85 GAA (0.38) 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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