SCHEMBL6160197

SCHEMBL6160197

CC(C)C(CC(=O)NCCc1nnn[nH]1)C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.66
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA5A P35218 4/20 0.37
CA5B Q9Y2D0 4/20 0.37
ALDH1A1 P00352 1/20 0.37
ITGB3 P05106 4/20 0.35
ITGAV P06756 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ITGA2B P08514 1/20 0.34
NAMPT P43490 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6160169 0.86 CASP1 (0.78) CASP1MMP1MMP2MMP9MMP8
SCHEMBL6159520 0.85 CASP1 (0.71) CASP1MMP1MMP2MMP9MMP8
SCHEMBL6159614 0.83 CASP1 (0.66) CASP1MMP1MMP2MMP9MMP8
SCHEMBL6159719 0.83 CASP1 (0.72) CASP1MMP1MMP2MMP9MMP8
SCHEMBL6158679 0.83 CASP1 (0.74) CASP1MMP1MMP2MMP9MMP8
SCHEMBL6159134 0.83 CASP1 (0.68) CASP1MMP1MMP2MMP9MMP8
SCHEMBL6160203 0.83 CASP1 (0.53) CASP1MMP1MMP2MMP9MMP8
SCHEMBL6157518 0.82 CASP1 (0.69) CASP1MMP1MMP2MMP9MMP8
SCHEMBL6158472 0.81 CASP1 (0.77) CASP1MMP1MMP2MMP9MMP8
SCHEMBL6158160 0.81 CASP1 (0.63) CASP1MMP1MMP2MMP9MMP8

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