SCHEMBL6159607

SCHEMBL6159607

CC(C)C(CC(=O)NOCc1ccccc1)C(=O)NC(CC(=O)OCc1ccccc1)C(=O)CN(C12CCC(CC1=O)C2(C)C)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.39
CA12 O43570 1/20 0.37
MMP9 P14780 2/20 0.34
CA4 P22748 1/20 0.33
SLC15A1 P46059 1/20 0.33
MMP1 P03956 4/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31
CASP3 P42574 1/20 0.31
CA1 P00915 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
CTSK P43235 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
SCHEMBL6158942 0.82 CASP1 (0.54) CASP1CA4MMP1MMP2CASP3
SCHEMBL6160566 0.82 CASP1 (0.45) CASP1CA12MMP9MMP1MMP2
SCHEMBL6159612 0.82 CASP1 (0.58) CASP1MMP9MMP1MMP2MMP8
SCHEMBL6158140 0.81 CASP1 (0.51) CASP1MMP9MMP1MMP2MMP8
SCHEMBL7415844 0.81 CASP1 (0.48) CASP1
SCHEMBL6159608 0.80 CASP1 (0.43) CASP1
SCHEMBL6159642 0.79 CASP1 (0.49) CASP1CASP3
SCHEMBL7420318 0.79 CASP3 (0.45) CASP1CASP3
SCHEMBL7425857 0.79 CASP1 (0.41) CASP1
SCHEMBL6159902 0.79 CASP1 (0.43) CASP1MMP9MMP1MMP2MMP8

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 1 patent. 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 disclosed