SCHEMBL4045331

SCHEMBL4045331

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.43
CTSL P07711 6/20 0.34
CTSS P25774 5/20 0.34
CTSB P07858 2/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
ELANE P08246 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
PREP P48147 2/20 0.33
FAP Q12884 1/20 0.33

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
SCHEMBL4042672 0.93 CTSK (0.41) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4044808 0.93 CTSK (0.36) CTSKCTSSELANECHRNB2CHRNA7
SCHEMBL4037989 0.90 CTSK (0.42) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4045571 0.89 CTSK (0.46) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4044454 0.88 CTSK (0.55) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4044003 0.88 CTSK (0.40) CTSKCTSLCTSSCTSBCHRNB2
SCHEMBL4041363 0.88 CTSK (0.42) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4049412 0.88 CTSK (0.42) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4046884 0.86 CTSK (0.34) CTSKCTSSMMP1MMP3ELANE
SCHEMBL4050222 0.86 CTSK (0.43) CTSKCTSLCTSSCTSBMMP1

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