SCHEMBL7512475

SCHEMBL7512475

COC1OCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.59
CTSB P07858 4/20 0.59
CTSS P25774 4/20 0.59
CTSL P07711 5/20 0.56
TACR1 P25103 2/20 0.52

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
SCHEMBL7514454 0.96 CTSK (0.58) CTSKCTSBCTSSCTSLTACR1
SCHEMBL7514113 0.90 CTSK (0.59) CTSKCTSBCTSSCTSLTACR1
SCHEMBL7514794 0.90 CTSK (0.49) CTSKCTSBCTSSCTSL
SCHEMBL3592461 0.90 CTSK (0.64) CTSKCTSBCTSSCTSL
SCHEMBL4622199 0.89 CTSK (0.62) CTSKCTSBCTSSCTSL
SCHEMBL4621195 0.89 CTSK (0.62) CTSKCTSBCTSSCTSL
SCHEMBL7512715 0.88 CTSK (0.58) CTSKCTSBCTSSCTSLTACR1
SCHEMBL8812581 0.87 CTSK (0.60) CTSKCTSBCTSSCTSLTACR1
SCHEMBL8812573 0.87 CTSK (0.60) CTSKCTSBCTSSCTSLTACR1
SCHEMBL17852720 0.85 CPB1 (0.56) CTSKCTSBCTSSCTSL

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