SCHEMBL3489141

SCHEMBL3489141

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.53
CASP3 P42574 2/20 0.53
CASP9 P55211 2/20 0.53
CASP4 P49662 1/20 0.53
CASP5 P51878 1/20 0.53
CASP6 P55212 1/20 0.53
CASP8 Q14790 1/20 0.53
CASP10 Q92851 1/20 0.53
PSMB1 P20618 1/20 0.53
CASP7 P55210 1/20 0.53
CTSK P43235 8/20 0.52
CTSB P07858 3/20 0.51
CTSL P07711 1/20 0.49
CAPN1 P07384 2/20 0.49

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
SCHEMBL3491057 0.84 PTPN1 (0.47) CASP1CASP3CASP9CASP4CASP5
SCHEMBL3490826 0.84 CASP3 (0.73) CASP1CASP3CASP9CASP4CASP5
SCHEMBL158671 0.84 CASP1 (0.56) CASP1CASP3CASP9PSMB1CASP7
SCHEMBL7168373 0.84 CASP1 (0.58) CASP1CASP3CASP9PSMB1CASP7
SCHEMBL27533999 0.82 CTSK (0.70) CTSKCTSBCTSLCAPN1
SCHEMBL4424261 0.82 CTSK (0.70) CTSKCTSBCTSLCAPN1
SCHEMBL28399571 0.81 CASP3 (0.70) CASP1CASP3CASP9CASP4CASP5
SCHEMBL7267407 0.80 PSMB1 (0.70) PSMB1CTSKCTSBCTSLCAPN1
SCHEMBL29362585 0.80 CASP3 (0.76) CASP1CASP3CASP9CASP4CASP5
SCHEMBL30541131 0.80 CASP3 (0.61) CASP1CASP3CASP9CASP4CASP5

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-2008011008-A1 BIOLUMINESCENT IMAGING OF TRAIL INDUCED APOPTOSIS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-01-24 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