SCHEMBL6158897

SCHEMBL6158897

CC(C)[C@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)CBr

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.45
SLC15A1 P46059 1/20 0.44
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44
CA12 O43570 1/20 0.44
MMP1 P03956 3/20 0.41
SYK P43405 1/20 0.40
CTSK P43235 2/20 0.40
CASP1 P29466 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL7428604 1.00 MMP9 (0.45) MMP9SLC15A1KLK7KLK5CA12
SCHEMBL6160245 0.90 MMP9 (0.47) MMP9SLC15A1KLK7KLK5CA12
SCHEMBL626800 0.85 CASP3 (0.49) SYKCTSKCASP1
SCHEMBL4422741 0.85 CASP3 (0.49) SYKCTSKCASP1
SCHEMBL10074125 0.85 CASP3 (0.49) SYKCTSKCASP1
SCHEMBL17261861 0.85 CTSK (0.52) SYKCTSKCASP1
SCHEMBL79537 0.84 CASP1 (0.54) KLK7KLK5SYKCTSKCASP1
SCHEMBL79538 0.84 CASP1 (0.54) KLK7KLK5SYKCTSKCASP1
SCHEMBL6157798 0.84 MMP9 (0.47) MMP9SLC15A1CA12MMP1CASP1
SCHEMBL6159076 0.83 KLK7 (0.44) MMP9SLC15A1KLK7KLK5CA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082127-B1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1BETA CONVERTING ENZYME WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
EP-1082127-A4 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER LAMBERT CO (US) 2002-10-09 EP disclosed
EP-1082127-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 2001-03-14 EP disclosed
WO-1999056765-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-11-11 WO disclosed