SCHEMBL6583896

SCHEMBL6583896

CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC1CN(CCNS(=O)(=O)Cc2ccccc2)CC1O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.46
CTSL P07711 4/20 0.44
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CAPN1 P07384 1/20 0.42
KDM1A O60341 2/20 0.40
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CTSS P25774 2/20 0.40
CCR3 P51677 1/20 0.39
CTSB P07858 2/20 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
SCHEMBL6578118 0.86 CTSK (0.51) CTSKCTSLCASP1CASP3CAPN1
SCHEMBL6577961 0.86 CTSK (0.51) CTSKCTSLTAOK1TAOK3CTSS
SCHEMBL6583598 0.85 CTSL (0.51) CTSKCTSLCASP1CASP3CAPN1
SCHEMBL6580234 0.81 CTSL (0.49) CTSKCTSLCASP1CASP3CAPN1
SCHEMBL6580295 0.80 CTSK (0.60) CTSKCTSLCTSSCTSB
SCHEMBL6577721 0.79 CTSL (0.47) CTSKCTSLCASP1CASP3CAPN1
SCHEMBL6578042 0.79 CTSK (0.54) CTSKCTSLCASP1CASP3CAPN1
SCHEMBL6580001 0.79 CTSL (0.48) CTSKCTSLCASP1CASP3CAPN1
SCHEMBL7379929 0.77 CTSK (0.55) CTSKCTSLTAOK1TAOK3CTSS
SCHEMBL6578074 0.77 CTSK (0.49) CTSKCASP1CASP3CAPN1UTS2R

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