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Sugi Predict / Compounds / SCHEMBL12856057

SCHEMBL12856057

SCHEMBL12856057

CC(=O)OC(C(=O)NC1CC1)[C@@H]1CCCCCCCOC[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 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 2/20 0.37
▸ GAA P10253 1/20 0.33
▸ BACE1 P56817 4/20 0.32

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
SCHEMBL12607897 0.91 CTSD (0.40) CTSDGAABACE1
SCHEMBL8290694 0.89 CTSD (0.38) CTSDGAABACE1
SCHEMBL12606684 0.88 — —
SCHEMBL12607420 0.85 GAA (0.38) CTSDGAABACE1
SCHEMBL8289629 0.85 GAA (0.38) CTSDGAABACE1
SCHEMBL13685678 0.83 GAA (0.36) CTSDGAA
SCHEMBL8290692 0.83 GAA (0.36) CTSDGAA
SCHEMBL8051655 0.82 BACE1 (0.36) CTSDBACE1
SCHEMBL13685074 0.82 BACE1 (0.36) CTSDBACE1
SCHEMBL12607418 0.82 GAA (0.38) CTSDGAABACE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664092-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-02-02 — — EP disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
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