SCHEMBL6162623

SCHEMBL6162623

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]c2ccc(C(C)=O)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.52
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.34
LMNA P02545 1/20 0.34
ITGB3 P05106 3/20 0.34
ITGAV P06756 3/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 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) CASP1CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL6158353 0.89 CASP1 (0.53) CASP1CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL6159070 0.86 CASP1 (0.56) CASP1CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL6162615 0.85 CASP1 (0.68) CASP1CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL6159523 0.81 CASP1 (0.57) CASP1CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL6159722 0.81 CASP1 (0.59) CASP1CYP2C19ALDH1A1CYP1A2LMNA
SCHEMBL6158320 0.81 CASP1 (0.47) CASP1MMP1MMP2MMP9MMP8
SCHEMBL6160008 0.81 CASP1 (0.72) CASP1CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL6160203 0.79 CASP1 (0.53) CASP1CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL6160003 0.77 CASP1 (0.60) CASP1CYP2C19ALDH1A1CYP3A4CYP2D6

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