SCHEMBL10141053

SCHEMBL10141053

CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(=O)O)C2(C)C)C1CCC(F)(F)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.47
▸ CTSK P43235 2/20 0.47
▸ CTSV O60911 1/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ ELANE P08246 1/20 0.47
▸ CMA1 P23946 1/20 0.47
▸ CTSF Q9UBX1 1/20 0.47

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
SCHEMBL12605761 1.00 CTSS (0.47) CTSSCTSKCTSVCTSLCTSB
SCHEMBL16300799 0.94 CTSV (0.47) CTSSCTSKCTSVCTSLCTSB
SCHEMBL16316538 0.94 CTSV (0.47) CTSSCTSKCTSVCTSLCTSB
SCHEMBL16300681 0.94 CTSV (0.47) CTSSCTSKCTSVCTSLCTSB
SCHEMBL16300830 0.94 CTSV (0.47) CTSSCTSKCTSVCTSLCTSB
SCHEMBL10140258 0.93 CTSV (0.56) CTSSCTSKCTSVCTSLCTSB
SCHEMBL14378352 0.93 CTSV (0.56) CTSSCTSKCTSVCTSLCTSB
SCHEMBL12605760 0.93 CTSV (0.46) CTSSCTSKCTSVCTSLCTSB
SCHEMBL14452001 0.93 CTSV (0.56) CTSSCTSKCTSVCTSLCTSB
SCHEMBL14452002 0.93 CTSV (0.56) 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 1 patent. 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
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