SCHEMBL4224422

SCHEMBL4224422

CC(C)(C)c1ccc(C(=O)NC(Cc2cccc(O)c2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2ccc[n+]([O-])c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
CTSS P25774 3/20 0.38
CTSL P07711 4/20 0.38
F10 P00742 3/20 0.37
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.33
CTSV O60911 2/20 0.33
TSHR P16473 1/20 0.32
HPGDS O60760 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
ACE P12821 1/20 0.32
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL4040497 0.92 CTSK (0.50) CTSKCTSSCTSLF10PLG
SCHEMBL4041541 0.88 CTSK (0.49) CTSKCTSSCTSLF10ALDH1A1
SCHEMBL4047934 0.86 CTSK (0.51) CTSKCTSSCTSLF10PLG
SCHEMBL4038140 0.86 CTSK (0.50) CTSKCTSSCTSLF10TSHR
SCHEMBL4039780 0.84 CTSK (0.52) CTSKCTSSCTSLF10CTSV
SCHEMBL4038592 0.84 CTSK (0.52) CTSKCTSSCTSLCTSV
SCHEMBL4042537 0.82 CTSK (0.49) CTSKCTSSCTSLF10PLG
SCHEMBL4048167 0.81 CTSK (0.50) CTSKCTSSF10PLGALDH1A1
SCHEMBL4039023 0.81 CTSK (0.50) CTSKCTSSALDH1A1MAPTACE
SCHEMBL4039737 0.81 CTSK (0.51) CTSKCTSSALDH1A1MAPT

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