SCHEMBL8411027

SCHEMBL8411027

CC(C)C(NC(=O)C(N)CCC(=O)OC(C)(C)C)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)COC(=O)Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.47
CASP3 P42574 14/20 0.43
CASP6 P55212 11/20 0.41
CASP8 Q14790 11/20 0.41
CTSD P07339 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8411108 0.86 CASP1 (0.62) CASP1CASP3
SCHEMBL8414714 0.82 CASP1 (0.52) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL8519168 0.78 CASP1 (0.47) CASP1CASP3
SCHEMBL6830886 0.78 CASP3 (0.49) CASP1CASP3CASP6CASP8
SCHEMBL7425226 0.77 CASP1 (0.65) CASP1CASP3CASP6CASP8
SCHEMBL7414180 0.77 CASP1 (0.57) CASP1CASP3CASP6CASP8
SCHEMBL8410793 0.77 CASP1 (0.55) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL8411135 0.76 CASP1 (0.79) CASP1
SCHEMBL8410991 0.76 CASP1 (0.49) CASP1L3MBTL1
SCHEMBL8520531 0.76 CASP1 (0.47) 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-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 EP disclosed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 WO disclosed