SCHEMBL6157630

SCHEMBL6157630

CC(C)[C@H](CC(=O)NCCCc1ccccc1)C(=O)N[C@H](C=O)CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 19/20 1.00
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL6157640 1.00 CASP1 (1.00) CASP1ALDH1A1HPGDKMT2A
SCHEMBL6157629 1.00 CASP1 (1.00) CASP1ALDH1A1HPGDKMT2A
SCHEMBL6160436 0.87 CASP1 (0.77) CASP1ALDH1A1HPGDKMT2A
SCHEMBL6160428 0.87 CASP1 (0.77) CASP1ALDH1A1HPGDKMT2A
SCHEMBL6160430 0.87 CASP1 (0.77) CASP1ALDH1A1HPGDKMT2A
SCHEMBL6164297 0.83 CASP1 (0.73) CASP1
SCHEMBL6158236 0.80 KMT2A (0.68) CASP1ALDH1A1HPGDKMT2A
SCHEMBL27561937 0.80 KMT2A (0.68) CASP1ALDH1A1HPGDKMT2A
SCHEMBL6159731 0.78 CASP1 (0.71) CASP1
SCHEMBL6158833 0.76 CASP1 (1.00) 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 5 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
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