SCHEMBL7344982

SCHEMBL7344982

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(O)c1c(C(O)c2ccccc2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.57
CTSL P07711 7/20 0.55
CTSB P07858 5/20 0.55
CTSS P25774 2/20 0.54
PSMB1 P20618 2/20 0.53
PSMB5 P28074 1/20 0.52
PSMB2 P49721 1/20 0.52

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
SCHEMBL7344977 1.00 CTSK (0.57) CTSKCTSLCTSBCTSSPSMB1
SCHEMBL7337277 0.87 CTSK (0.59) CTSKCTSLCTSBCTSS
SCHEMBL7337267 0.87 CTSK (0.59) CTSKCTSLCTSBCTSS
SCHEMBL25406813 0.78 CTSK (0.77) CTSKCTSLCTSBCTSS
SCHEMBL2930262 0.78 CTSK (0.77) CTSKCTSLCTSBCTSS
SCHEMBL14148467 0.78 CTSK (0.77) CTSKCTSLCTSBCTSS
SCHEMBL4872585 0.78 CTSK (0.77) CTSKCTSLCTSBCTSS
SCHEMBL8823918 0.78 CTSK (0.77) CTSKCTSLCTSBCTSS
SCHEMBL20770085 0.78 CTSK (0.77) CTSKCTSLCTSBCTSS
SCHEMBL7337140 0.78 CTSL (0.53) CTSKCTSLCTSBCTSS

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-5416117-A Protease inhibitor MITSUBISHI KASEI CORPORATION (JP) 1995-05-16 US disclosed
EP-0520427-B1 Cyclopropenone derivatives MITSUBISHI CHEM IND (JP) 1994-12-14 EP disclosed
US-5328909-A Protease inhibitors MITSUBISHI KASEI CORPORATION (JP) 1994-07-12 US disclosed
EP-0520427-A1 Cyclopropenone derivatives Mitsubishi Chemical Corporation (JP) 1992-12-30 EP disclosed