SCHEMBL4045633

SCHEMBL4045633

CC(C)CC(NC(=O)Oc1cc2ccccc2o1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.41
CTSL P07711 13/20 0.38
CTSS P25774 9/20 0.38
CTSB P07858 3/20 0.38
CTSV O60911 2/20 0.38
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PREP P48147 1/20 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
SCHEMBL4046940 0.93 KDM4E (0.35) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4049366 0.92 CTSK (0.38) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043843 0.90 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043435 0.89 CTSK (0.38) CTSKMMP1MMP3MMP9KDM4E
SCHEMBL4040754 0.88 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041738 0.88 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043183 0.88 CTSK (0.43) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4047069 0.87 CTSK (0.42) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4041363 0.87 CTSK (0.42) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4047585 0.86 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV

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