SCHEMBL3490826

SCHEMBL3490826

CC(=O)F.CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 10/20 0.73
CASP1 P29466 5/20 0.73
CASP9 P55211 5/20 0.73
CASP4 P49662 3/20 0.73
CASP8 Q14790 3/20 0.73
CASP10 Q92851 3/20 0.73
CASP5 P51878 2/20 0.73
CASP6 P55212 2/20 0.73
CASP7 P55210 5/20 0.56
CTSB P07858 5/20 0.53
CTSK P43235 4/20 0.53
BACE1 P56817 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
MME P08473 1/20 0.47
ECE1 P42892 1/20 0.47

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
SCHEMBL31248472 0.87 CASP3 (0.63) CASP3CASP1CASP9CASP4CASP8
SCHEMBL30541131 0.85 CASP3 (0.61) CASP3CASP1CASP9CASP4CASP8
SCHEMBL28399571 0.85 CASP3 (0.70) CASP3CASP1CASP9CASP4CASP8
SCHEMBL3490062 0.84 CASP3 (0.54) CASP3CASP1CASP9CASP4CASP8
SCHEMBL3489141 0.84 CASP1 (0.53) CASP3CASP1CASP9CASP4CASP8
SCHEMBL3317466 0.84 CASP3 (0.62) CASP3CASP1CASP9CASP4CASP8
SCHEMBL29362585 0.83 CASP3 (0.76) CASP3CASP1CASP9CASP4CASP8
SCHEMBL30744051 0.83 CASP3 (0.64) CASP3CASP1CASP9CASP4CASP8
SCHEMBL2038060 0.83 CASP3 (0.63) CASP3CASP1CASP9CASP4CASP8
SCHEMBL3489108 0.82 CASP3 (0.52) CASP3CASP1CASP9CASP4CASP8

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008079408-A1 A ZEBRAFISH BASED SCREEN FOR AGENTS WITH ABILITY TO PREVENT CELL DEATH UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2008-07-03 WO claimed
US-20160151403-A1 SMALL MOLECULE MODULATORS OF P53 FAMILY SIGNALING THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2016-06-02 US disclosed
US-20100047783-A1 SMALL MOLECULE MODULATORS OF P53 FAMILY SIGNALING THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2010-02-25 US disclosed
WO-2008079408-A1 A ZEBRAFISH BASED SCREEN FOR AGENTS WITH ABILITY TO PREVENT CELL DEATH UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2008-07-03 WO disclosed
WO-2008008155-A2 SMALL MOLECULE MODULATORS OF P53 FAMILY SIGNALING THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-01-17 WO disclosed
US-20070048726-A1 Methods and Compositions for the Control of Molecular-Based Cell Death During Preservation of Cells, Tissues or Organs in a Gel-Like State BIOLIFE SOLUTIONS, INC. (US) 2007-03-01 US disclosed
US-6921633-B2 Methods and compositions for the preservation of cells, tissues or organs in the vitreous state BIOLIFE SOLUTIONS INCORPORATED (US) 2005-07-26 US disclosed
WO-2004046308-A2 METHODS AND COMPOSITIONS FOR THE PRESERVATION OF CELLS, TISSUES OR ORGANS IN THE VITREOUS STATE BIOLIFE SOLUTIONS, INC. (US) 2004-06-03 WO disclosed
US-20040096813-A1 Methods and compositions for the preservation of cells, tissues or organs in the vitreous state BIOLIFE SOLUTIONS, INC. 2004-05-20 US disclosed