SCHEMBL6157768

SCHEMBL6157768

CCC(CC(=O)NCCCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CN(C12CCC(CC1=O)C2(C)C)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.41
MMP2 P08253 16/20 0.37
MMP3 P08254 16/20 0.37
MMP1 P03956 15/20 0.37
ADAM17 P78536 1/20 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
SCHEMBL6158140 0.90 CASP1 (0.51) CASP1MMP2MMP3MMP1
SCHEMBL6158942 0.86 CASP1 (0.54) CASP1MMP2MMP3MMP1
SCHEMBL6159166 0.85 CASP1 (0.60) CASP1
SCHEMBL6157498 0.85 CASP1 (0.47) CASP1MMP2MMP3MMP1
SCHEMBL6159126 0.85 CASP1 (0.47) CASP1
SCHEMBL6157776 0.84 CASP1 (0.48) CASP1
SCHEMBL6158658 0.84 CASP1 (0.46) CASP1MMP2MMP1
SCHEMBL6158910 0.82 CASP1 (0.52) CASP1
SCHEMBL6157773 0.81 CASP1 (0.61) CASP1MMP2MMP1
SCHEMBL6158146 0.81 CASP1 (0.47) CASP1

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 5 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 claimed
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