SCHEMBL4048017

SCHEMBL4048017

CCCC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.34
F2 P00734 2/20 0.30
F10 P00742 2/20 0.30
MMP1 P03956 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL4044566 0.92 CTSK (0.42) CTSKMMP1MMP13
SCHEMBL4044802 0.91 ALDH1A1 (0.35) CTSKMMP1MMP13
SCHEMBL4046677 0.90 CTSK (0.34) CTSKMMP1MMP13
SCHEMBL4041133 0.89 CTSK (0.36) CTSKF2F10
SCHEMBL4044424 0.88 CTSK (0.34) CTSKF2F10
SCHEMBL4050225 0.88 CTSK (0.35) CTSKF2F10
SCHEMBL4043270 0.86 CTSK (0.32) CTSKF2F10
SCHEMBL4045941 0.85 CTSK (0.33) CTSKF2F10
SCHEMBL4044545 0.85 CTSK (0.41) CTSK
SCHEMBL4051191 0.85 CTSK (0.37) CTSK

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