SCHEMBL6158311

SCHEMBL6158311

CC(C)C(CC(=O)NCCc1c[nH]c2ccccc12)C(=O)NC(CC(=O)O)C(=O)CN(C12CCC(CC1)C2(C)C)S(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.55
ECE1 P42892 1/20 0.44
TACR3 P29371 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
MDM2 Q00987 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
SCHEMBL6159199 0.89 CASP1 (0.54) CASP1ECE1TACR3ALDH1A1CYP3A4
SCHEMBL6159490 0.88 CASP1 (0.48) CASP1
SCHEMBL6158325 0.85 CASP1 (0.50) CASP1ALDH1A1KMT2ACYP2D6CYP2C9
SCHEMBL6158315 0.83 CASP1 (0.62) CASP1ECE1TACR3ALDH1A1CYP3A4
SCHEMBL6158472 0.80 CASP1 (0.77) CASP1ECE1ALDH1A1CYP3A4MAPT
SCHEMBL6158942 0.76 CASP1 (0.54) CASP1
SCHEMBL6157940 0.76 CASP1 (0.72) CASP1MEN1KMT2AKDM4EHSD17B10
SCHEMBL6158910 0.75 CASP1 (0.52) CASP1
SCHEMBL6158140 0.74 CASP1 (0.51) CASP1ALDH1A1KMT2A
SCHEMBL6159714 0.73 CASP1 (0.51) CASP1ITGB3ITGB1ITGAVITGA5

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