SCHEMBL4049558

SCHEMBL4049558

CCCC(NC(=O)Oc1ccc2ccccc2c1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.36
ELANE P08246 2/20 0.35
CCR1 P32246 1/20 0.34
ACHE P22303 1/20 0.32
F2 P00734 2/20 0.32
F10 P00742 2/20 0.32
TGM2 P21980 1/20 0.31
FAAH O00519 1/20 0.31
EPHX1 P07099 1/20 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
SCHEMBL4048186 0.92 ALDH1A1 (0.36) CTSK
SCHEMBL4041133 0.91 CTSK (0.36) CTSKELANECCR1F2F10
SCHEMBL4050306 0.90 PKM (0.36) CTSKELANEF2F10
SCHEMBL4045249 0.89 CTSK (0.36) CTSKELANECCR1TGM2
SCHEMBL4050225 0.89 CTSK (0.35) CTSKELANEACHEF2F10
SCHEMBL6211650 0.89 CCR1 (0.46) CTSKCCR1
SCHEMBL4045359 0.88 PREP (0.33) CTSKELANEF2F10
SCHEMBL4044073 0.88 CTSK (0.33) CTSKF2F10
SCHEMBL4045941 0.88 CTSK (0.33) CTSKF2F10
SCHEMBL4047816 0.88 CTSK (0.33) CTSKF2F10

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