SCHEMBL6158716

SCHEMBL6158716

CC(CC(=O)NCCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.60
MMP8 P22894 2/20 0.46
MMP12 P39900 2/20 0.46
MMP13 P45452 2/20 0.46
MMP1 P03956 1/20 0.46
MMP7 P09237 1/20 0.46
CASP3 P42574 3/20 0.44
CASP6 P55212 2/20 0.44
CASP8 Q14790 2/20 0.44
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
ANPEP P15144 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL6157996 0.90 CASP1 (0.58) CASP1MMP8MMP12MMP13MMP1
SCHEMBL6160794 0.82 KMT2A (0.51) CASP1MMP8MMP1CASP3CASP6
SCHEMBL6159045 0.79 CASP1 (0.61) CASP1MMP8MMP12MMP13MMP1
SCHEMBL6159669 0.78 CASP3 (0.41) CASP1MMP8MMP1CASP3CASP6
SCHEMBL28745575 0.78 CASP1 (0.62) CASP1MMP8MMP12MMP13MMP1
Naphthalene SCHEMBL7417075 0.77 CASP3 (0.51) CASP1CASP3CASP6CASP8ALDH1A1
SCHEMBL27561775 0.76 CASP1 (0.57) CASP1MMP8MMP12MMP13MMP1
SCHEMBL7382572 0.75 CASP1 (0.54) CASP1MMP8MMP12MMP13MMP1
SCHEMBL7375206 0.75 CASP1 (1.00) CASP1MMP8MMP12MMP13
SCHEMBL6160628 0.74 CASP1 (0.61) CASP1MMP1CASP3CASP6CASP8

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 10 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$g(b) CONVERTING ENZYME WARNER LAMBERT CO (US) 2002-10-09 EP claimed
CN-1308542-A Succinamide inhibitors of interleukin-1 beta converting enzyme WARNET LAMBERT CO (US) 2001-08-15 CN claimed
EP-1082127-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$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$g(b) CONVERTING ENZYME WARNER LAMBERT CO (US) 2002-10-09 EP disclosed
CN-1308542-A Succinamide inhibitors of interleukin-1 beta converting enzyme WARNET LAMBERT CO (US) 2001-08-15 CN disclosed
EP-1082127-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$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