SCHEMBL10140639

SCHEMBL10140639

CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2C([C@H]1C(=O)NC(CC1CCCCC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.62
▸ CTSK P43235 2/20 0.62
▸ CTSV O60911 1/20 0.62
▸ CTSL P07711 1/20 0.62
▸ CTSB P07858 1/20 0.62
▸ ELANE P08246 1/20 0.62
▸ CMA1 P23946 1/20 0.62
▸ CTSF Q9UBX1 1/20 0.62
▸ F13A1 P00488 1/20 0.40
▸ TGM2 P21980 1/20 0.40

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
SCHEMBL13689653 1.00 CTSS (0.62) CTSSCTSKCTSVCTSLCTSB
SCHEMBL10140520 1.00 CTSS (0.62) CTSSCTSKCTSVCTSLCTSB
SCHEMBL13689676 1.00 CTSS (0.62) CTSSCTSKCTSVCTSLCTSB
SCHEMBL8354732 0.99 CTSS (0.64) CTSSCTSKCTSVCTSLCTSB
SCHEMBL10226899 0.99 CTSS (0.64) CTSSCTSKCTSVCTSLCTSB
SCHEMBL8355281 0.99 CTSS (0.64) CTSSCTSKCTSVCTSLCTSB
SCHEMBL13688788 0.99 CTSS (0.64) CTSSCTSKCTSVCTSLCTSB
SCHEMBL8256281 0.99 CTSS (0.64) CTSSCTSKCTSVCTSLCTSB
SCHEMBL10140255 0.98 CTSV (0.60) CTSSCTSKCTSVCTSLCTSB
SCHEMBL16329059 0.98 CTSV (0.60) CTSSCTSKCTSVCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 — — US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 — — US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 — — US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 — — US disclosed
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