SCHEMBL6159573

SCHEMBL6159573

CC(C)C(CC(=O)N(C)CCc1cn(C)c2ccccc12)C(=O)NC(CC(=O)O)C(=O)CN(C12CCC(CC1=O)C2(C)C)S(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.58
EDNRA P25101 4/20 0.31
EDNRB P24530 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TACR2 P21452 1/20 0.30
TACR1 P25103 1/20 0.30
NPY5R Q15761 1/20 0.30
EPHA2 P29317 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 0.90 CASP1 (0.72) CASP1KDM4EHPGDHSD17B10MEN1
SCHEMBL6159902 0.88 CASP1 (0.43) CASP1
SCHEMBL6160564 0.84 CASP1 (0.80) CASP1HPGDHSD17B10MEN1KMT2A
SCHEMBL6159166 0.82 CASP1 (0.60) CASP1EDNRAEDNRBKDM4EHPGD
SCHEMBL6158942 0.78 CASP1 (0.54) CASP1
SCHEMBL7425857 0.78 CASP1 (0.41) CASP1
SCHEMBL6158910 0.78 CASP1 (0.52) CASP1
SCHEMBL6159608 0.77 CASP1 (0.43) CASP1
SCHEMBL6158140 0.77 CASP1 (0.51) CASP1HPGDKMT2A
SCHEMBL6159199 0.77 CASP1 (0.54) CASP1KDM4EHSD17B10MEN1KMT2A

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