SCHEMBL6160002

SCHEMBL6160002

CC(C)C(CC(=O)NCCc1cn(C)c2ccccc12)C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 1.00
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA5A P35218 3/20 0.38
CA5B Q9Y2D0 3/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35

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
SCHEMBL6159173 0.91 CASP1 (0.84) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6160564 0.89 CASP1 (0.80) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6160169 0.88 CASP1 (0.78) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6158472 0.87 CASP1 (0.77) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6159750 0.85 CASP1 (0.75) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6158679 0.85 CASP1 (0.74) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6157982 0.84 CASP1 (0.73) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6159064 0.84 CASP1 (0.73) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6159719 0.84 CASP1 (0.72) CASP1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6160008 0.84 CASP1 (0.72) CASP1CYP1A2CYP2C19MEN1KMT2A

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 8 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-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
EP-1082127-B1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1BETA CONVERTING ENZYME WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
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