SCHEMBL6158320

SCHEMBL6158320

CCN(C(=O)CC(C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CC12CCC(CC1)C2(C)C)C(C)C)c1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.47
ECE1 P42892 6/20 0.36
MMP2 P08253 3/20 0.32
MMP8 P22894 2/20 0.32
MMP1 P03956 2/20 0.32
MMP9 P14780 1/20 0.32
EPHA2 P29317 2/20 0.31
GPBAR1 Q8TDU6 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
SCHEMBL6158476 0.90 CASP1 (0.59) CASP1ECE1MMP2MMP8MMP1
SCHEMBL6158315 0.83 CASP1 (0.62) CASP1ECE1
SCHEMBL6158353 0.81 CASP1 (0.53) CASP1MMP2MMP8MMP1MMP9
SCHEMBL6159070 0.81 CASP1 (0.56) CASP1MMP2MMP8MMP1MMP9
SCHEMBL6160008 0.77 CASP1 (0.72) CASP1MMP2MMP8MMP1MMP9
SCHEMBL6160628 0.76 CASP1 (0.61) CASP1MMP2MMP1
SCHEMBL6158329 0.75 CASP1 (0.58) CASP1
SCHEMBL6158472 0.73 CASP1 (0.77) CASP1ECE1MMP2MMP8MMP1
SCHEMBL6159523 0.72 CASP1 (0.57) CASP1MMP2MMP8MMP1MMP9
SCHEMBL6160003 0.71 CASP1 (0.60) CASP1MMP2MMP8MMP1MMP9

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