SCHEMBL7514927

SCHEMBL7514927

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCOC1=O

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.77
CTSL P07711 11/20 0.70
CTSS P25774 8/20 0.70
CTSB P07858 3/20 0.62

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
SCHEMBL4535888 0.94 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL7512878 0.89 CTSL (0.65) CTSKCTSLCTSSCTSB
SCHEMBL21109664 0.85 CTSK (0.72) CTSKCTSLCTSSCTSB
SCHEMBL21109395 0.83 CTSK (0.68) CTSKCTSLCTSSCTSB
SCHEMBL7513191 0.83 CTSL (0.67) CTSKCTSLCTSSCTSB
SCHEMBL21110247 0.82 CTSK (0.67) CTSKCTSLCTSSCTSB
SCHEMBL7513925 0.82 MEN1 (0.55) CTSK
SCHEMBL7513937 0.82 MEN1 (0.55) CTSK
SCHEMBL21109591 0.82 CTSK (0.66) CTSKCTSLCTSSCTSB
SCHEMBL21110049 0.81 CTSK (0.71) CTSKCTSLCTSSCTSB

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