SCHEMBL6158315

SCHEMBL6158315

CC(C)C(CC(=O)NCCc1c[nH]c2ccccc12)C(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CC12CCC(CC1)C2(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.62
ECE1 P42892 1/20 0.44
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
MDM2 Q00987 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TACR3 P29371 1/20 0.38
LMNA P02545 2/20 0.37

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
SCHEMBL6158472 0.90 CASP1 (0.77) CASP1ECE1ITGB3ITGB1ITGAV
SCHEMBL6160628 0.88 CASP1 (0.61) CASP1
SCHEMBL6158329 0.85 CASP1 (0.58) CASP1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL6158320 0.83 CASP1 (0.47) CASP1ECE1
SCHEMBL6158311 0.83 CASP1 (0.55) CASP1ECE1ITGB3ITGB1ITGAV
SCHEMBL6158349 0.81 CASP1 (0.68) CASP1ITGB3ITGAVMEN1KMT2A
SCHEMBL6162615 0.81 CASP1 (0.68) CASP1ECE1ITGB3ITGAVMEN1
SCHEMBL6159064 0.81 CASP1 (0.73) CASP1ITGB3ITGAVMEN1KMT2A
SCHEMBL6159199 0.79 CASP1 (0.54) CASP1ECE1ITGB3ITGB1ITGAV
SCHEMBL6160169 0.77 CASP1 (0.78) CASP1ITGB3ITGAVMEN1KMT2A

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