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Sugi Predict / Compounds / SCHEMBL16349734

SCHEMBL16349734

SCHEMBL16349734

CC(=O)C(=O)[C@@H]1CCCCCCCCC[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 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ BACE1 P56817 3/20 0.32
▸ PLG P00747 1/20 0.31

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
SCHEMBL16349581 1.00 GAA (0.35) GAAF2F10PRSS1BACE1
SCHEMBL16315715 1.00 GAA (0.35) GAAF2F10PRSS1BACE1
SCHEMBL8290298 0.94 F2 (0.34) GAAF2F10PRSS1BACE1
SCHEMBL13685052 0.94 F2 (0.34) GAAF2F10PRSS1BACE1
SCHEMBL7858719 0.94 F2 (0.34) GAAF2F10PRSS1BACE1
SCHEMBL8048356 0.94 F2 (0.34) GAAF2F10PRSS1BACE1
SCHEMBL13685318 0.94 F2 (0.34) GAAF2F10PRSS1BACE1
SCHEMBL16349821 0.92 GAA (0.31) GAAF2F10PRSS1BACE1
SCHEMBL8290536 0.91 GAA (0.33) GAAF2F10PRSS1BACE1
SCHEMBL13685100 0.89 F2 (0.33) GAAF2F10PRSS1BACE1

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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