SCHEMBL6578074

SCHEMBL6578074

CC(C)C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NC1CN(Cc2ccccc2)CC1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.49
CACNA1B Q00975 2/20 0.47
UTS2R Q9UKP6 2/20 0.41
FUCA1 P04066 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CASP3 P42574 4/20 0.40
CAPN1 P07384 3/20 0.40
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
CASP6 P55212 3/20 0.39
CASP8 Q14790 3/20 0.39
TMPRSS11D O60235 1/20 0.39
CCR1 P32246 1/20 0.38

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
SCHEMBL6580216 0.88 CTSK (0.50) CTSKCACNA1BFUCA1
SCHEMBL6581006 0.87 SIGMAR1 (0.43) CTSKCACNA1BALDH1A1
SCHEMBL6580277 0.83 ALDH1A1 (0.45) CTSKCACNA1BALDH1A1KMT2ACASP3
SCHEMBL6580369 0.82 CTSK (0.44) CTSKCACNA1BCASP3CAPN1CASP1
SCHEMBL6582315 0.82 CTSK (0.51) CTSK
Hydrochloric Acid SCHEMBL27483445 0.79 CTSK (0.47) CTSKCACNA1BFUCA1ALDH1A1
Hydrochloric Acid SCHEMBL6580455 0.79 CTSK (0.47) CTSKCACNA1BFUCA1ALDH1A1
SCHEMBL6580809 0.78 CTSK (0.58) CTSKUTS2RCAPN1
SCHEMBL6578107 0.78 UTS2R (0.52) CTSKUTS2RCASP3CAPN1CASP1
SCHEMBL6578118 0.78 CTSK (0.51) CTSKUTS2RCASP3CAPN1CASP1

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-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP claimed