SCHEMBL6161919

SCHEMBL6161919

CCOC1OC(=O)CC1NC(=O)C(CC(=O)NCCc1cn(C)c2ccccc12)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.47
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 5/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
GAA P10253 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
SCHEMBL6159833 0.83 CASP1 (0.54) CASP1KMT2AMEN1HSD17B10KDM4E
SCHEMBL6157827 0.83 CASP1 (0.43) CASP1KMT2AMEN1HPGD
SCHEMBL6161964 0.81 CASP1 (0.54) CASP1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL6157421 0.80 CASP1 (0.41) CASP1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL6158761 0.80 CASP1 (0.38) CASP1KMT2AMEN1HSD17B10SMN1; SMN2
SCHEMBL7487986 0.80 CASP1 (0.55) CASP1SMN1; SMN2GAA
SCHEMBL6157558 0.80 KMT2A (0.48) CASP1KMT2ALMNAHPGD
SCHEMBL6157985 0.79 CASP3 (0.41) CASP1
SCHEMBL6160437 0.79 CASP1 (0.52) CASP1SMN1; SMN2RAB9AKDM4E
SCHEMBL6157870 0.76 CASP1 (0.56) CASP1KMT2AMEN1

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