SCHEMBL7566397

SCHEMBL7566397

CCOC1OC(=O)CC1NC(=O)C(CC(=O)NCCn1cnc2cc(Cl)c(Cl)cc21)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.45
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CASP3 P42574 4/20 0.32
CASP8 Q14790 3/20 0.32
CASP7 P55210 2/20 0.32
CASP6 P55212 2/20 0.32
PRPS1 P60891 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7487986 0.88 CASP1 (0.55) CASP1CASP3CASP8CASP7CASP6
SCHEMBL6161964 0.78 CASP1 (0.54) CASP1MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL6159212 0.76 CASP1 (0.55) CASP1ALDH1A1POLB
SCHEMBL6158761 0.75 CASP1 (0.38) CASP1CASP3CASP8CASP7CASP6
SCHEMBL6160437 0.74 CASP1 (0.52) CASP1MTNR1AMTNR1BCASP3CASP8
SCHEMBL6157827 0.74 CASP1 (0.43) CASP1CASP3CASP8CASP7CASP6
SCHEMBL6159488 0.74 PRPS1 (0.30) PRPS1
SCHEMBL6157985 0.73 CASP3 (0.41) CASP1CASP3CASP8CASP7CASP6
SCHEMBL6161919 0.72 CASP1 (0.47) CASP1
SCHEMBL6157558 0.72 KMT2A (0.48) CASP1MTNR1AMTNR1BALDH1A1MAPT

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