SCHEMBL6160169

SCHEMBL6160169

CC(C)C(CC(=O)NCCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.78
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA5A P35218 4/20 0.48
CA5B Q9Y2D0 4/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
ALDH1A1 P00352 1/20 0.40
F10 P00742 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL6158679 0.96 CASP1 (0.74) CASP1CA1CA2CA5ACA5B
SCHEMBL6159520 0.94 CASP1 (0.71) CASP1CA1CA2CA5ACA5B
SCHEMBL6159719 0.93 CASP1 (0.72) CASP1CA1CA2CA5ACA5B
SCHEMBL6157518 0.90 CASP1 (0.69) CASP1CA1CA2CA5ACA5B
SCHEMBL6159134 0.90 CASP1 (0.68) CASP1CA1CA2CA5ACA5B
SCHEMBL6159999 0.90 CASP1 (0.71) CASP1CA1CA2CA5ACA5B
SCHEMBL6157780 0.89 CASP1 (0.69) CASP1CA1CA2CA5ACA5B
SCHEMBL6159401 0.89 CASP1 (0.67) CASP1CA1CA2CA5ACA5B
SCHEMBL6160628 0.88 CASP1 (0.61) CASP1MMP1MMP2
SCHEMBL6158472 0.88 CASP1 (0.77) CASP1CA1CA2CA5ACA5B

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 2 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