SCHEMBL6157940

SCHEMBL6157940

CC(C)C(CC(=O)NCCc1cn(C)c2ccccc12)C(=O)NC(CC(=O)O)C(=O)CN(C12CCC(CC1=O)C2(C)C)S(C)(=O)=O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 14/20 0.72
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
RAB9A P51151 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
SCHEMBL6159166 0.92 CASP1 (0.60) CASP1MEN1KMT2AKDM4EHPGD
SCHEMBL6159573 0.90 CASP1 (0.58) CASP1MEN1KMT2AKDM4EHPGD
SCHEMBL6158942 0.88 CASP1 (0.54) CASP1
SCHEMBL6159199 0.87 CASP1 (0.54) CASP1MEN1KMT2AKDM4EHSD17B10
SCHEMBL6158910 0.86 CASP1 (0.52) CASP1
SCHEMBL6158140 0.85 CASP1 (0.51) CASP1KMT2AHPGDMMP9MMP8
SCHEMBL6159714 0.84 CASP1 (0.51) CASP1MMP9MMP8
SCHEMBL6159512 0.83 CASP1 (0.49) CASP1MMP9MMP8
SCHEMBL6159642 0.83 CASP1 (0.49) CASP1
SCHEMBL6160002 0.83 CASP1 (1.00) CASP1MEN1KMT2AMMP9MMP8

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 8 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-A4 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER LAMBERT CO (US) 2002-10-09 EP claimed
EP-1082127-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 2001-03-14 EP claimed
WO-1999056765-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-11-11 WO 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