SCHEMBL6160628

SCHEMBL6160628

CC(C)C(CC(=O)NCCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CC12CCC(CC1)C2(C)C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 16/20 0.61
CASP3 P42574 2/20 0.39
CASP6 P55212 2/20 0.39
CASP8 Q14790 2/20 0.39
CA4 P22748 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 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
SCHEMBL6158329 0.95 CASP1 (0.58) CASP1CASP3CASP6CASP8
SCHEMBL6160169 0.88 CASP1 (0.78) CASP1MMP1MMP2
SCHEMBL6158315 0.88 CASP1 (0.62) CASP1
SCHEMBL6158679 0.84 CASP1 (0.74) CASP1MMP1MMP2
SCHEMBL6157996 0.83 CASP1 (0.58) CASP1CASP3CASP6CASP8CA4
SCHEMBL6159520 0.82 CASP1 (0.71) CASP1MMP1MMP2
SCHEMBL6159719 0.82 CASP1 (0.72) CASP1MMP1MMP2
SCHEMBL6159490 0.80 CASP1 (0.48) CASP1CASP3CASP6CASP8CA4
SCHEMBL6157518 0.79 CASP1 (0.69) CASP1MMP1MMP2
SCHEMBL7599864 0.78 CASP1 (0.62) 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