SCHEMBL16298035

SCHEMBL16298035

Cc1ccc(S(=O)(=O)CNC(=O)C(=O)[C@@H]2CCCCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N3C[C@H]4C([C@H]3C(=O)N2)C4(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.32
▸ BACE1 P56817 3/20 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
SCHEMBL12606620 1.00 PLG (0.32) PLGBACE1
SCHEMBL13685095 1.00 PLG (0.32) PLGBACE1
SCHEMBL13685232 1.00 PLG (0.32) PLGBACE1
SCHEMBL13685131 1.00 PLG (0.32) PLGBACE1
SCHEMBL13685239 1.00 PLG (0.32) PLGBACE1
SCHEMBL12606593 1.00 PLG (0.32) PLGBACE1
SCHEMBL8046136 0.89 — —
SCHEMBL13685100 0.86 F2 (0.33) PLGBACE1
SCHEMBL12606619 0.85 BACE1 (0.35) BACE1
SCHEMBL13685160 0.85 BACE1 (0.35) BACE1

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 2 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
WO-2006113942-A2 METHOD OF INHIBITING CATHEPSIN ACTIVITY SCHERING CORPORATION (US) 2006-10-26 — — WO disclosed
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