SCHEMBL4046418

SCHEMBL4046418

CCCC(NC(=O)Oc1ccco1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.33
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
F2 P00734 2/20 0.31
F10 P00742 2/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 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
SCHEMBL4044439 0.92 CTSK (0.41) CTSKCTSLCTSS
SCHEMBL4046811 0.89 CTSK (0.33) CTSKPREPFAP
SCHEMBL4044073 0.88 CTSK (0.33) CTSKPREPFAPF2F10
SCHEMBL4047816 0.88 CTSK (0.33) CTSKPREPFAPF2F10
SCHEMBL4041133 0.87 CTSK (0.36) CTSKPREPFAPF2F10
SCHEMBL4044424 0.86 CTSK (0.34) CTSKPREPFAPF2F10
SCHEMBL4049558 0.86 CTSK (0.36) CTSKF2F10
SCHEMBL4045941 0.85 CTSK (0.33) CTSKPREPFAPF2F10
SCHEMBL4044545 0.85 CTSK (0.41) CTSKCTSLCTSS
SCHEMBL4050225 0.85 CTSK (0.35) CTSKPREPFAPF2F10

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