SCHEMBL6159923

SCHEMBL6159923

C=CCOC(=O)C(CC(=O)OC(C)(C)C)NC(=O)C(CC(=O)NOCc1ccccc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.39
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
MMP9 P14780 2/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
CASP1 P29466 3/20 0.36
CA12 O43570 1/20 0.36
MMP1 P03956 2/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BACE1 P56817 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PSMB5 P28074 2/20 0.35

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
SCHEMBL6159076 0.89 KLK7 (0.44) USP2KLK7KLK5MMP9CASP1
SCHEMBL6159919 0.80 USP2 (0.40) USP2KLK7KLK5MMP9CASP1
SCHEMBL7409262 0.76 KLK7 (0.58) KLK7KLK5CASP1
SCHEMBL6160245 0.76 MMP9 (0.47) KLK7KLK5MMP9CA12MMP1
SCHEMBL7886440 0.76 CTSK (0.52) CASP1PSMB5
SCHEMBL6157798 0.75 MMP9 (0.47) MMP9MMP2MMP8CASP1CA12
SCHEMBL29828584 0.74 KLK7 (0.55) KLK7KLK5CASP1
SCHEMBL7397045 0.74 ECE1 (0.60) MMP9MMP2MMP8CASP1MMP1
SCHEMBL7886897 0.73 CTSK (0.44) KLK5PSMB5
SCHEMBL6158897 0.73 MMP9 (0.45) KLK7KLK5MMP9CASP1CA12

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