SCHEMBL6466880

SCHEMBL6466880

CC(C)CC(NC(=O)O)C(=O)NC(CCc1ccccc1)C(O)c1nc(C(=O)N2CCc3ccccc3C2)co1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB2 P49721 2/20 0.45
PSMB1 P20618 1/20 0.45
CTSS P25774 3/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.38
CTSB P07858 2/20 0.37
CTSK P43235 2/20 0.37
CTSH P09668 1/20 0.37
CTSC P53634 1/20 0.37
CTSL P07711 1/20 0.37
RECQL P46063 1/20 0.37
PSMB5 P28074 4/20 0.36
PSMB8 P28062 3/20 0.36

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
SCHEMBL6063162 0.92 CTSL (0.45) CTSSCTSBCTSKCTSL
SCHEMBL6465769 0.85 ALDH1A1 (0.39) PSMB2CTSSMAPTRECQLPSMB5
SCHEMBL6467902 0.85 PSMB2 (0.44) PSMB2PSMB1CTSSMMP1MMP3
SCHEMBL6061535 0.81 CTSK (0.51) PSMB1CTSSCTSBCTSKCTSL
SCHEMBL6466258 0.80 ANPEP (0.46) PSMB2PSMB1MMP1MMP3MMP9
SCHEMBL6462350 0.80 CTSL (0.45) PSMB1CTSSCTSBCTSKCTSL
SCHEMBL6063101 0.80 CTSK (0.52) PSMB1CTSSCTSBCTSKCTSL
SCHEMBL6467305 0.80 MMP9 (0.44) PSMB2PSMB1MMP1MMP3MMP9
SCHEMBL6467310 0.80 MMP9 (0.44) PSMB2PSMB1MMP1MMP3MMP9
SCHEMBL6466256 0.80 MMP9 (0.44) PSMB2PSMB1MMP1MMP3MMP9

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed