SCHEMBL7921828

SCHEMBL7921828

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

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.73
CTSL P07711 6/20 0.69
CTSB P07858 5/20 0.69
CTSS P25774 3/20 0.69
CAPN1 P07384 1/20 0.63

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
SCHEMBL18848786 0.91 CTSK (0.75) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL14514052 0.91 CTSK (0.75) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL8971948 0.89 CTSK (0.72) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL1841693 0.88 CTSK (0.70) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL8823980 0.88 CTSK (0.73) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL8823928 0.88 CTSK (0.73) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL25406813 0.87 CTSK (0.77) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL8823918 0.87 CTSK (0.77) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL20770085 0.87 CTSK (0.77) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL4872585 0.87 CTSK (0.77) CTSKCTSLCTSBCTSSCAPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331542-B1 TREATING DISEASES CHARACTERIZED BY BONE LOSS OR EXCESSIVE CARTILAGE OR MATRIX DEGRADATION SMITHKLINE BEECHAM CORPORATION 2001-12-18 US disclosed
US-6232342-B1 CATHEPSIN K INHIBITOR FOR TREATING OSTEOPOROSIS, GINGIVITIS, PERIODONTITIS, ARTHRITIS, OSTEOARTHRITIS RHEUMATOID ARTHRITIS, PAGET'S DISEASE, HYPERCALCEMIA OF MALIGNANCY AND METABOLIC BONE DISEASES SMITHKLINE BEECHAM CORPORATION 2001-05-15 US disclosed