SCHEMBL6159070

SCHEMBL6159070

CCN(C(=O)CC(C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(C)C)c1c[nH]c2c(C)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.56
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA5A P35218 6/20 0.34
CA5B Q9Y2D0 6/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6158476 0.91 CASP1 (0.59) CASP1CYP2C19CYP1A2MMP1MMP2
SCHEMBL6158353 0.86 CASP1 (0.53) CASP1CYP2C19CYP1A2MMP1MMP2
SCHEMBL6162623 0.86 CASP1 (0.52) CASP1CYP2C19CYP1A2MMP1MMP2
SCHEMBL6159064 0.84 CASP1 (0.73) CASP1CYP2C19CYP1A2MMP1MMP2
SCHEMBL6160008 0.84 CASP1 (0.72) CASP1CYP2C19CYP1A2MMP1MMP2
SCHEMBL6159523 0.82 CASP1 (0.57) CASP1CYP2C19CYP1A2MMP1MMP2
SCHEMBL6159722 0.82 CASP1 (0.59) CASP1CYP2C19CYP1A2MMP1MMP2
SCHEMBL6158320 0.81 CASP1 (0.47) CASP1MMP1MMP2MMP9MMP8
SCHEMBL6160203 0.80 CASP1 (0.53) CASP1CYP2C19CYP1A2MMP1MMP2
SCHEMBL6160003 0.80 CASP1 (0.60) CASP1CYP2C19CYP1A2MMP1MMP2

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 5 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
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