SCHEMBL11680875

SCHEMBL11680875

CC(NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 9/20 0.68
▸ CTSK P43235 8/20 0.68
▸ CTSB P07858 3/20 0.55
▸ CTSL P07711 1/20 0.55
▸ OPRD1 P41143 5/20 0.52
▸ OPRM1 P35372 4/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ AKT1 P31749 1/20 0.49
▸ ACE P12821 1/20 0.48
▸ PSMB1 P20618 1/20 0.48
▸ PSMB8 P28062 1/20 0.48
▸ PSMB9 P28065 1/20 0.48
▸ PSMB5 P28074 1/20 0.48
▸ PSMB10 P40306 1/20 0.48
▸ PSMB2 P49721 1/20 0.48

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
SCHEMBL11684424 1.00 CTSS (0.68) CTSSCTSKCTSBCTSLOPRD1
SCHEMBL11680386 1.00 CTSS (0.68) CTSSCTSKCTSBCTSLOPRD1
SCHEMBL4024908 0.89 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL4024913 0.89 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3469005 0.89 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3469003 0.89 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL11681965 0.88 CTSS (0.61) CTSSCTSKCTSBCTSLOPRD1
SCHEMBL11124222 0.87 CTSS (0.71) CTSSCTSKCTSBCTSLAKT1
SCHEMBL11525136 0.87 CTSS (0.64) CTSSCTSKCTSBCTSLOPRD1
SCHEMBL11523721 0.87 CTSS (0.64) CTSSCTSKCTSBCTSLOPRD1

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-4028319-A 2 AND 3-SUBSTITUTED ENKEPHALINS G. D. SEARLE & CO. (US) 1977-06-07 — — US disclosed
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