SCHEMBL6158325

SCHEMBL6158325

CC(C)C(CC(=O)NCCCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CN(C12CCC(CC1)C2(C)C)S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.50
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CASP3 P42574 2/20 0.35
CASP6 P55212 2/20 0.35
CASP8 Q14790 2/20 0.35
EPHX2 P34913 2/20 0.35
KCNA5 P22460 1/20 0.35
PSMB11 A5LHX3 1/20 0.35
PSMD11 O00231 1/20 0.35
PSMD12 O00232 1/20 0.35
PSMD14 O00487 1/20 0.35
PSMA7 O14818 1/20 0.35
PSMD3 O43242 1/20 0.35
PSMC3 P17980 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMA1 P25786 1/20 0.35
PSMA2 P25787 1/20 0.35
PSMA3 P25788 1/20 0.35

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
SCHEMBL6159490 0.95 CASP1 (0.48) CASP1CASP3CASP6CASP8MMP1
SCHEMBL6158140 0.88 CASP1 (0.51) CASP1KMT2AALDH1A1HPGDCASP3
SCHEMBL6158311 0.85 CASP1 (0.55) CASP1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL6158942 0.83 CASP1 (0.54) CASP1CASP3CASP6CASP8MMP1
SCHEMBL6158658 0.83 CASP1 (0.46) CASP1ALDH1A1EPHX2KCNA5PSMB11
SCHEMBL6157498 0.83 CASP1 (0.47) CASP1PSMB11PSMD11PSMD12PSMD14
SCHEMBL6159126 0.82 CASP1 (0.47) CASP1KCNA5
SCHEMBL6157776 0.82 CASP1 (0.48) CASP1CASP3CASP6OPRM1
SCHEMBL6158329 0.81 CASP1 (0.58) CASP1KMT2AALDH1A1HPGDCASP3
SCHEMBL6158910 0.79 CASP1 (0.52) CASP1CASP3CASP6CASP8

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