SCHEMBL7029675

SCHEMBL7029675

O=C(CCc1ccccc1)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C(=O)N[C@@H]1S(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.56
CTSK P43235 3/20 0.56
CTSL P07711 2/20 0.56
REN P00797 3/20 0.45
CTSB P07858 1/20 0.44
MMP2 P08253 12/20 0.43
MMP1 P03956 10/20 0.43
MMP3 P08254 10/20 0.43
ADAM17 P78536 1/20 0.42
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL5934865 1.00 CTSS (0.56) CTSSCTSKCTSLRENCTSB
SCHEMBL5934662 0.85 CTSS (0.57) CTSSCTSKCTSLRENCTSB
SCHEMBL7033255 0.85 CTSS (0.57) CTSSCTSKCTSLRENCTSB
SCHEMBL5934874 0.81 CTSK (0.57) CTSSCTSKCTSLRENCTSB
SCHEMBL7471828 0.80 CTSK (0.61) CTSSCTSKCTSLCTSB
SCHEMBL7029711 0.76 LTA4H (0.60) RENMMP2MMP1MMP3
SCHEMBL5934957 0.76 CTSK (0.51) CTSSCTSKCTSLCTSBMMP2
SCHEMBL5934599 0.76 CTSK (0.51) CTSSCTSKCTSLCTSBMMP2
SCHEMBL10889192 0.72 CTSL (0.55) CTSSCTSKCTSL
SCHEMBL10895418 0.72 CTSL (0.55) CTSSCTSKCTSL

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-0929571-B1 4-SUBSTITUTED-3-(2-AMINO-2-CYCLOALKYL METHYL)-ACETAMIDO AZETIDIN-2-ONE DERIVATIVES AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2003-02-26 EP claimed
EP-0929571-B1 4-SUBSTITUTED-3-(2-AMINO-2-CYCLOALKYL METHYL)-ACETAMIDO AZETIDIN-2-ONE DERIVATIVES AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2003-02-26 EP disclosed
US-5916887-A TREATMENT OF ARTHRITIS, INFLAMMATION, ALZHEIMER'S DISEASE NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1999-06-29 US disclosed