SCHEMBL4047331

SCHEMBL4047331

CC(C)CC(NC(=O)Oc1cc2sccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.40
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
PREP P48147 2/20 0.32
FAP Q12884 1/20 0.32
ELANE P08246 1/20 0.31
CTSL P07711 4/20 0.31
CTSS P25774 4/20 0.31
CTSB P07858 2/20 0.31

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
SCHEMBL4042699 0.93 CTSK (0.32) CTSKPREPFAP
SCHEMBL4044672 0.92 CTSV (0.33) CTSKCTSLCTSS
SCHEMBL4041363 0.91 CTSK (0.42) CTSKMMP1MMP3MMP9PREP
SCHEMBL4052028 0.91 CTSK (0.32) CTSK
SCHEMBL4041872 0.90 CTSK (0.38) CTSKMMP1MMP3MMP9CTSL
SCHEMBL4049412 0.89 CTSK (0.42) CTSKMMP1MMP3MMP9PREP
SCHEMBL4045303 0.88 CTSK (0.37) CTSKCTSLCTSSCTSB
SCHEMBL4044546 0.88 CTSK (0.39) CTSKCTSLCTSSCTSB
SCHEMBL4045331 0.85 CTSK (0.43) CTSKMMP1MMP3MMP9PREP
SCHEMBL4047118 0.85 CTSK (0.41) CTSKMMP1MMP3MMP9PREP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed