SCHEMBL6159166

SCHEMBL6159166

CCC(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 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.60
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
EDNRA P25101 3/20 0.33
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 3/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EDNRB P24530 1/20 0.30
NPY5R Q15761 1/20 0.30
GAA P10253 1/20 0.30
TP53 P04637 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
SCHEMBL6157940 0.92 CASP1 (0.72) CASP1MMP9MMP8MEN1KMT2A
SCHEMBL6157768 0.85 CASP1 (0.41) CASP1
SCHEMBL6159173 0.83 CASP1 (0.84) CASP1MMP9MMP8MEN1KMT2A
SCHEMBL6159573 0.82 CASP1 (0.58) CASP1MEN1KMT2AEDNRAKDM4E
SCHEMBL6158942 0.79 CASP1 (0.54) CASP1
SCHEMBL6159199 0.79 CASP1 (0.54) CASP1MEN1KMT2AKDM4EHSD17B10
SCHEMBL6158910 0.77 CASP1 (0.52) CASP1
SCHEMBL6158140 0.76 CASP1 (0.51) CASP1MMP9MMP8KMT2AHPGD
SCHEMBL6159714 0.76 CASP1 (0.51) CASP1MMP9MMP8
SCHEMBL6160002 0.75 CASP1 (1.00) CASP1MMP9MMP8MEN1KMT2A

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