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Sugi Predict / Compounds / SCHEMBL8051655

SCHEMBL8051655

SCHEMBL8051655

CC(=O)OC(C(=O)NCC1CC1)[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 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.36
▸ KMT2A Q03164 1/20 0.33
▸ CTSD P07339 4/20 0.31
▸ 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
SCHEMBL13685074 0.91 BACE1 (0.36) BACE1CTSD
SCHEMBL13685135 0.90 BACE1 (0.35) BACE1CTSD
SCHEMBL13685068 0.87 BACE1 (0.34) BACE1
SCHEMBL13685133 0.85 BACE1 (0.35) BACE1
SCHEMBL12606591 0.85 BACE1 (0.35) BACE1
SCHEMBL12606619 0.85 BACE1 (0.35) BACE1
SCHEMBL13685160 0.85 BACE1 (0.35) BACE1
SCHEMBL13685200 0.85 BACE1 (0.35) BACE1
SCHEMBL8290694 0.83 CTSD (0.38) BACE1CTSD
SCHEMBL16349766 0.83 BACE1 (0.37) BACE1CTSDF2F10PRSS1

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
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
WO-2009058856-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2009-05-07 — — WO disclosed
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