SCHEMBL6159512

SCHEMBL6159512

CC(C)C(CC(=O)NCCc1ccncc1)C(=O)NC(CC(=O)O)C(=O)CN(C12CCC(CC1=O)C2(C)C)S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 13/20 0.49
CPB2 Q96IY4 1/20 0.33
CASP3 P42574 2/20 0.32
CASP6 P55212 2/20 0.32
CASP8 Q14790 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA5A P35218 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
KCNA5 P22460 1/20 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
SCHEMBL6159126 0.96 CASP1 (0.47) CASP1CPB2KCNA5
SCHEMBL6158942 0.94 CASP1 (0.54) CASP1CASP3CASP6CASP8MMP2
SCHEMBL6158140 0.90 CASP1 (0.51) CASP1CASP3CASP6CASP8MMP2
SCHEMBL6159714 0.89 CASP1 (0.51) CASP1CASP3CASP6CASP8MMP2
SCHEMBL6157498 0.89 CASP1 (0.47) CASP1CA1CA2CA5ACA5B
SCHEMBL6158658 0.88 CASP1 (0.46) CASP1CPB2MMP2MMP9MMP8
SCHEMBL6159642 0.85 CASP1 (0.49) CASP1CASP3CASP6CASP8
SCHEMBL6157776 0.85 CASP1 (0.48) CASP1CASP3CASP6
SCHEMBL6159608 0.85 CASP1 (0.43) CASP1
SCHEMBL6159199 0.84 CASP1 (0.54) 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 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