SCHEMBL7487986

SCHEMBL7487986

CCOC1OC(=O)CC1NC(=O)C(CC(=O)NCCn1cnc2ccccc21)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.55
MAPK1 P28482 2/20 0.38
APAF1 O14727 1/20 0.37
CASP3 P42574 5/20 0.35
CASP7 P55210 3/20 0.35
CASP8 Q14790 3/20 0.35
EGLN3 Q9H6Z9 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CASP6 P55212 1/20 0.34

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
SCHEMBL7566397 0.88 CASP1 (0.45) CASP1CASP3CASP7CASP8CASP6
SCHEMBL6161964 0.86 CASP1 (0.54) CASP1MAPK1SMN1; SMN2HTT
SCHEMBL6159212 0.85 CASP1 (0.55) CASP1APAF1SMN1; SMN2HTTGAA
SCHEMBL6158761 0.83 CASP1 (0.38) CASP1CASP3CASP7CASP8SMN1; SMN2
SCHEMBL6160437 0.80 CASP1 (0.52) CASP1CASP3CASP7CASP8SMN1; SMN2
SCHEMBL6157827 0.80 CASP1 (0.43) CASP1CASP3CASP7CASP8CASP6
SCHEMBL6161919 0.80 CASP1 (0.47) CASP1SMN1; SMN2GAA
SCHEMBL6157985 0.79 CASP3 (0.41) CASP1CASP3CASP7CASP8CASP6
SCHEMBL6157558 0.78 KMT2A (0.48) CASP1
SCHEMBL6159833 0.74 CASP1 (0.54) CASP1MAPK1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082127-A4 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER LAMBERT CO (US) 2002-10-09 EP disclosed
EP-1082127-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 2001-03-14 EP disclosed
WO-1999056765-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-11-11 WO disclosed