SCHEMBL6158942

SCHEMBL6158942

CC(C)C(CC(=O)NCCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CN(C12CCC(CC1=O)C2(C)C)S(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.54
CASP3 P42574 2/20 0.37
CASP6 P55212 2/20 0.37
CASP8 Q14790 2/20 0.37
MMP2 P08253 4/20 0.34
MMP3 P08254 4/20 0.34
MMP1 P03956 3/20 0.34
CA4 P22748 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
SCHEMBL6158140 0.96 CASP1 (0.51) CASP1CASP3CASP6CASP8MMP2
SCHEMBL6159512 0.94 CASP1 (0.49) CASP1CASP3CASP6CASP8MMP2
SCHEMBL6159714 0.93 CASP1 (0.51) CASP1CASP3CASP6CASP8MMP2
SCHEMBL6157498 0.90 CASP1 (0.47) CASP1MMP2MMP3MMP1
SCHEMBL6159126 0.90 CASP1 (0.47) CASP1
SCHEMBL6159642 0.90 CASP1 (0.49) CASP1CASP3CASP6CASP8
SCHEMBL6157776 0.90 CASP1 (0.48) CASP1CASP3CASP6
SCHEMBL6158658 0.89 CASP1 (0.46) CASP1MMP2MMP1
SCHEMBL6159199 0.88 CASP1 (0.54) CASP1
SCHEMBL6158910 0.88 CASP1 (0.52) CASP1CASP3CASP6CASP8

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