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SCHEMBL7735263

SCHEMBL7735263

CCCC(NC(=O)OC(C)(C)C)C(O)C(=O)NC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 16/20 0.48
▸ CTSS P25774 5/20 0.48
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL8013295 0.91 CTSK (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL8281467 0.88 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL7733585 0.87 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL3682448 0.84 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL3206074 0.84 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL16300682 0.84 CA1 (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL7726457 0.84 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL13707738 0.84 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL15757399 0.83 CA1 (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL15757401 0.83 CA1 (0.47) CTSKCTSSCA1CA2CA7

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-6800434-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2004-10-05 — — US disclosed
US-6800434-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2004-10-05 — — US disclosed