SCHEMBL6159919

SCHEMBL6159919

C=CCOC(=O)C(CC(=O)OC(C)(C)C)NC(=O)C(C(C)C)C(OCc1ccccc1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.40
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
CASP1 P29466 2/20 0.36
REN P00797 2/20 0.36
APP P05067 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PSMB5 P28074 1/20 0.34
MMP9 P14780 1/20 0.34
CTSS P25774 1/20 0.34

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 0.81 KLK7 (0.44) USP2KLK7KLK5CASP1MAPT
SCHEMBL6159923 0.80 USP2 (0.39) USP2KLK7KLK5CASP1MAPT
SCHEMBL7409262 0.76 KLK7 (0.58) KLK7KLK5CASP1CTSSALDH1A1
SCHEMBL27561841 0.75 SLC15A1 (0.46) CASP1MMP9
SCHEMBL7886440 0.75 CTSK (0.52) CASP1PSMB5CTSS
SCHEMBL29828584 0.74 KLK7 (0.55) KLK7KLK5CASP1CTSSALDH1A1
SCHEMBL7887054 0.72 CASP3 (0.51) CASP1PSMB5
SCHEMBL29602353 0.72 KLK7 (0.51) KLK7KLK5CASP1CTSSALDH1A1
SCHEMBL28713173 0.72 KLK7 (0.51) KLK7KLK5CASP1CTSSALDH1A1
SCHEMBL7886897 0.71 CTSK (0.44) KLK5PSMB5CTSS

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