SCHEMBL4723277

SCHEMBL4723277

O=C(O)C=CCC1(O)CC(=O)OC1=O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.31
GABRR2 P28476 2/20 0.31
BLM P54132 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3477981 0.77
Water SCHEMBL8154773 0.72 AKR1B1 (0.33)
SCHEMBL28142280 0.70 APEX1 (0.30) APEX1
SCHEMBL14236451 0.68
SCHEMBL16556328 0.66
SCHEMBL2471184 0.60
SCHEMBL2436308 0.60
SCHEMBL8765452 0.60 TSHR (0.38) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL9138136 0.60 HSD11B1 (0.32)
SCHEMBL8765456 0.60 TSHR (0.38) GABRR1GABRR2BLMGABRR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851544-A4 COMPOSITIONS AND METHODS FOR THE REVERSIBLE CAPTURE OF BIOMOLECULES UNIV CARNEGIE MELLON (US) 2008-12-10 EP disclosed
US-20070287828-A1 Compositions and Methods for the Reversible Capture of Biomolecules CARNEGIE MELLON UNIVERSITY 2007-12-13 US disclosed
EP-1851544-A1 COMPOSITIONS AND METHODS FOR THE REVERSIBLE CAPTURE OF BIOMOLECULES Carnegie Mellon University (US) 2007-11-07 EP disclosed
EP-1567862-A4 COMPOSITIONS AND METHODS FOR THE REVERSIBLE CAPTURE OF BIOMOLECULES UNIV CARNEGIE MELLON (US) 2007-04-18 EP disclosed
WO-2006091183-A1 COMPOSITIONS AND METHODS FOR THE REVERSIBLE CAPTURE OF BIOMOLECULES CARNEGIE MELLON UNIVERSITY (US) 2006-08-31 WO disclosed
EP-1567862-A2 COMPOSITIONS AND METHODS FOR THE REVERSIBLE CAPTURE OF BIOMOLECULES CARNEGIE-MELLON UNIVERSITY (US) 2005-08-31 EP disclosed
US-20040152880-A1 Compositions and methods for the reversible capture of biomolecules CARNEGIE MELLON UNIVERSITY 2004-08-05 US disclosed
WO-2004048530-A2 COMPOSITIONS AND METHODS FOR THE REVERSIBLE CAPTURE OF BIOMOLECULES CARNEGIE MELLON UNIVERSITY (US) 2004-06-10 WO disclosed