SCHEMBL7516532

SCHEMBL7516532

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCOC1O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.56
CTSK P43235 2/20 0.56
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
SCN9A Q15858 6/20 0.54
CAPN1 P07384 2/20 0.54
KLK7 P49862 1/20 0.51
KLK5 Q9Y337 1/20 0.51
CCKAR P32238 1/20 0.50
CCKBR P32239 1/20 0.50
AKT1 P31749 1/20 0.50

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
SCHEMBL27427437 1.00 CTSS (0.56) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL27406188 0.86 CTSS (0.53) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL7518449 0.86 CTSS (0.53) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL8812581 0.85 CTSK (0.60) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL8812573 0.85 CTSK (0.60) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL8809633 0.81 CAPN1 (0.56) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL8809618 0.81 CAPN1 (0.56) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL8810112 0.81 CAPN1 (0.51) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL8810100 0.81 CAPN1 (0.51) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL27424651 0.80 CTSS (0.57) CTSSCTSKCTSLCTSBSCN9A

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 8 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
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 claimed
JP-8104685-A None JP disclosed
EP-0641800-B1 Lactol derivatives as inhibitors of cathepsin L TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-16 EP disclosed
JP-H08104685-A LACTOL DERIVATIVE, ITS PRODUCTION AND USE TAKEDA CHEM IND LTD 1996-04-23 JP 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
CN-1106001-A Lactol derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-02 CN disclosed
EP-0641800-A1 Lactol derivatives as inhibiters of cathepsin L Takeda Chemical Industries, Ltd. (JP) 1995-03-08 EP disclosed