SCHEMBL6159714

SCHEMBL6159714

CC(C)C(CC(=O)NCCc1ccc2ccccc2c1)C(=O)NC(CC(=O)O)C(=O)CN(C12CCC(CC1=O)C2(C)C)S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 16/20 0.51
MDM4 O15151 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
MDM2 Q00987 1/20 0.35
CASP3 P42574 2/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL6157776 0.96 CASP1 (0.48) CASP1CASP3CASP6
SCHEMBL6158942 0.93 CASP1 (0.54) CASP1CASP3CASP6CASP8MMP2
SCHEMBL6158140 0.89 CASP1 (0.51) CASP1CASP3CASP6CASP8MMP2
SCHEMBL6159512 0.89 CASP1 (0.49) CASP1CASP3CASP6CASP8MMP2
SCHEMBL6159642 0.87 CASP1 (0.49) CASP1CASP3CASP6CASP8
SCHEMBL6157498 0.87 CASP1 (0.47) CASP1ITGB3ITGAVMMP2
SCHEMBL6158146 0.86 CASP1 (0.47) CASP1ITGB3ITGAVCASP3
SCHEMBL6158910 0.86 CASP1 (0.52) CASP1CASP3CASP6CASP8
SCHEMBL6159126 0.85 CASP1 (0.47) CASP1ITGB3ITGAV
SCHEMBL6159199 0.85 CASP1 (0.54) CASP1ITGB3ITGB1ITGAVITGA5

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