SCHEMBL6158658

SCHEMBL6158658

CC(C)C(CC(=O)NCCCc1cccnc1)C(=O)NC(CC(=O)O)C(=O)CN(C12CCC(CC1=O)C2(C)C)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.46
KCNA5 P22460 2/20 0.38
REN P00797 2/20 0.35
CPB2 Q96IY4 1/20 0.35
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
PSMB11 A5LHX3 1/20 0.31
PSMD11 O00231 1/20 0.31
PSMD12 O00232 1/20 0.31
PSMD14 O00487 1/20 0.31
PSMA7 O14818 1/20 0.31
PSMD3 O43242 1/20 0.31
PSMC3 P17980 1/20 0.31
PSMB1 P20618 1/20 0.31

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 0.93 CASP1 (0.51) CASP1ALDH1A1MMP1MMP2MMP9
SCHEMBL6159126 0.92 CASP1 (0.47) CASP1KCNA5CPB2
SCHEMBL6157498 0.89 CASP1 (0.47) CASP1MMP1MMP2PSMB11PSMD11
SCHEMBL6158942 0.89 CASP1 (0.54) CASP1MMP1MMP2
SCHEMBL6159512 0.88 CASP1 (0.49) CASP1KCNA5CPB2MMP2MMP9
SCHEMBL6157776 0.88 CASP1 (0.48) CASP1
SCHEMBL6158146 0.86 CASP1 (0.47) CASP1
SCHEMBL6158910 0.85 CASP1 (0.52) CASP1
SCHEMBL6159714 0.84 CASP1 (0.51) CASP1MMP2MMP9MMP8
SCHEMBL6157768 0.84 CASP1 (0.41) CASP1MMP1MMP2

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 2 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