SCHEMBL7525753

SCHEMBL7525753

CC(=O)O[C@@H]1OCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.61
CTSL P07711 9/20 0.61
CTSS P25774 8/20 0.61
CTSB P07858 4/20 0.61
CAPN1 P07384 2/20 0.58
CAPNS1 P04632 1/20 0.58

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
SCHEMBL8406499 0.98 CTSK (0.62) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL7514109 0.98 CTSK (0.62) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL3577128 0.98 CTSK (0.62) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL7515987 0.93 CTSK (0.61) CTSKCTSLCTSSCTSB
SCHEMBL4622199 0.91 CTSK (0.62) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL4621195 0.91 CTSK (0.62) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8811434 0.90 CAPN1 (0.52) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8811449 0.90 CAPN1 (0.52) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL7514113 0.89 CTSK (0.59) CTSKCTSLCTSSCTSB
SCHEMBL3592461 0.89 CTSK (0.64) CTSKCTSLCTSSCTSBCAPN1

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 3 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 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