SCHEMBL6158549

SCHEMBL6158549

CC(C)C(CC(=O)OC(C)(C)C)C(=O)NC(CC(=O)OCc1ccccc1)C(=O)CN(C(=O)OC(C)(C)C)S(=O)(=O)CC12CCC(CC1=O)C2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.35
F10 P00742 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
CA1 P00915 2/20 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
SCHEMBL6160566 0.93 CASP1 (0.45) CASP1CYP1A2CYP2C19MMP1MMP2
SCHEMBL6158555 0.87 CASP1 (0.41) CASP1CYP1A2CYP2C19MMP1MMP2
SCHEMBL6158727 0.85 CASP1 (0.50) CASP1CYP1A2CYP2C19MMP1MMP2
SCHEMBL6158554 0.82 CASP1 (0.45) CASP1CYP1A2CYP2C19MMP1MMP2
SCHEMBL6160573 0.81 CASP1 (0.42) CASP1CYP1A2CYP2C19MMP1MMP2
SCHEMBL6159612 0.79 CASP1 (0.58) CASP1CYP1A2CYP2C19MMP1MMP2
SCHEMBL6160568 0.76 CASP1 (0.46) CASP1CYP1A2CYP2C19MMP1MMP2
SCHEMBL6159607 0.74 CASP1 (0.39) CASP1CYP1A2CYP2C19MMP1MMP2
SCHEMBL6158897 0.73 MMP9 (0.45) CASP1MMP1MMP9KLK7KLK5
SCHEMBL7428604 0.73 MMP9 (0.45) CASP1MMP1MMP9KLK7KLK5

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 4 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 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