SCHEMBL7514161

SCHEMBL7514161

CC(=O)O[C@@H]1OCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(N(C=O)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 9/20 0.57
CAPNS1 P04632 2/20 0.56
CTSK P43235 9/20 0.40
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
CTSB P07858 1/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 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
SCHEMBL7514555 0.89 CAPN1 (0.57) CAPN1CAPNS1CASP1CASP3
SCHEMBL27428998 0.82 CAPN1 (0.59) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL27428996 0.82 CAPN1 (0.59) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL7514155 0.82 CAPN1 (0.59) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL7513003 0.81 CAPN1 (0.52) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL8810052 0.80 CAPN1 (0.66) CAPN1CAPNS1CTSKCTSSCASP1
SCHEMBL8810074 0.80 CAPN1 (0.66) CAPN1CAPNS1CTSKCTSSCASP1
SCHEMBL8406499 0.80 CTSK (0.62) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL3577128 0.80 CTSK (0.62) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL7514109 0.80 CTSK (0.62) CAPN1CAPNS1CTSKCTSLCTSS

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
EP-0641800-B1 Lactol derivatives as inhibitors of cathepsin L TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-16 EP claimed
EP-0641800-B1 Lactol derivatives as inhibitors of cathepsin L TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-16 EP disclosed
US-5496834-A PEPTIDE DERIVATIVES AS CATHEPSIN L INHIBITORS AND INHIBITORS OF BONE RESORPTION OR TREATMENT OF OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-05 US disclosed
EP-0641800-A1 Lactol derivatives as inhibiters of cathepsin L Takeda Chemical Industries, Ltd. (JP) 1995-03-08 EP disclosed