SCHEMBL6159902

SCHEMBL6159902

CC(C)C(CC(=O)N(C)CCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CN(C12CCC(CC1=O)C2(C)C)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.43
MMP2 P08253 3/20 0.33
MMP1 P03956 2/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
CASP3 P42574 5/20 0.33
CASP8 Q14790 3/20 0.33
CASP7 P55210 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
CPB2 Q96IY4 1/20 0.32
CASP6 P55212 2/20 0.31
REN P00797 1/20 0.30
MMP3 P08254 2/20 0.30

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
SCHEMBL6158942 0.88 CASP1 (0.54) CASP1MMP2MMP1CASP3CASP8
SCHEMBL6159573 0.88 CASP1 (0.58) CASP1
SCHEMBL6158140 0.87 CASP1 (0.51) CASP1MMP2MMP1MMP9MMP8
SCHEMBL7425857 0.84 CASP1 (0.41) CASP1
SCHEMBL6159608 0.83 CASP1 (0.43) CASP1
SCHEMBL6159512 0.82 CASP1 (0.49) CASP1MMP2MMP9MMP8CASP3
SCHEMBL6159906 0.82 CASP1 (0.63) CASP1MMP2MMP1MMP9MMP8
SCHEMBL6159714 0.82 CASP1 (0.51) CASP1MMP2MMP9MMP8CASP3
SCHEMBL6157498 0.82 CASP1 (0.47) CASP1MMP2MMP1MMP3
SCHEMBL6159126 0.81 CASP1 (0.47) CASP1CPB2

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