SCHEMBL7033255

SCHEMBL7033255

O=C(CCc1ccccc1)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C(=O)N[C@@H]1Sc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.57
CTSK P43235 4/20 0.57
CTSL P07711 3/20 0.57
MMP2 P08253 13/20 0.45
MMP3 P08254 12/20 0.45
MMP1 P03956 11/20 0.45
CTSB P07858 1/20 0.43
LTA4H P09960 1/20 0.43
REN P00797 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
SCHEMBL5934662 1.00 CTSS (0.57) CTSSCTSKCTSLMMP2MMP3
SCHEMBL7029675 0.85 CTSS (0.56) CTSSCTSKCTSLMMP2MMP3
SCHEMBL5934865 0.85 CTSS (0.56) CTSSCTSKCTSLMMP2MMP3
SCHEMBL5934874 0.82 CTSK (0.57) CTSSCTSKCTSLMMP2MMP3
SCHEMBL7474486 0.81 CTSK (0.61) CTSSCTSKCTSLMMP2CTSB
SCHEMBL7029711 0.77 LTA4H (0.60) MMP2MMP3MMP1LTA4HREN
SCHEMBL5934957 0.76 CTSK (0.51) CTSSCTSKCTSLMMP2MMP3
SCHEMBL5934599 0.76 CTSK (0.51) CTSSCTSKCTSLMMP2MMP3
SCHEMBL7034872 0.74 CTSL (0.42) CTSSCTSKCTSLMMP2MMP3
SCHEMBL7443679 0.72 CTSK (1.00) CTSSCTSKCTSLCTSB

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