SCHEMBL6157985

SCHEMBL6157985

CCOC1OC(=O)CC1NC(=O)C(CC(=O)NCCNc1ccccc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 17/20 0.41
CASP1 P29466 17/20 0.41
CASP7 P55210 14/20 0.39
CASP8 Q14790 13/20 0.39
CASP6 P55212 12/20 0.39

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
SCHEMBL6157827 0.88 CASP1 (0.43) CASP3CASP1CASP7CASP8CASP6
SCHEMBL6160437 0.86 CASP1 (0.52) CASP3CASP1CASP7CASP8CASP6
SCHEMBL6157558 0.86 KMT2A (0.48) CASP1
SCHEMBL6161964 0.81 CASP1 (0.54) CASP1
SCHEMBL6161919 0.79 CASP1 (0.47) CASP1
SCHEMBL6158761 0.79 CASP1 (0.38) CASP3CASP1CASP7CASP8CASP6
SCHEMBL6158900 0.76 CASP1 (0.38) CASP3CASP1CASP7CASP8CASP6
SCHEMBL6157870 0.76 CASP1 (0.56) CASP1
SCHEMBL6158570 0.76 CASP1 (0.49) CASP1
SCHEMBL6157542 0.74 MTNR1A (0.49) CASP1

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