SCHEMBL3966053

SCHEMBL3966053

C/C=C/C[C@@H](C)[C@H](O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.36
HDAC2 Q92769 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
GABRR1 P24046 2/20 0.31
LMNA P02545 1/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30

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
SCHEMBL3966055 1.00 GRIK1 (0.38) GRIK1GRIK2SLC22A6HDAC2SMN1; SMN2
SCHEMBL22500687 0.83 GRIK1 (0.40) GRIK1GRIK2SLC22A6HDAC2SMN1; SMN2
SCHEMBL22500689 0.83 GRIK1 (0.40) GRIK1GRIK2SLC22A6HDAC2SMN1; SMN2
SCHEMBL14852861 0.82 GRIK1 (0.37) GRIK1GRIK2MAPT
SCHEMBL15909791 0.82 GRIK1 (0.37) GRIK1GRIK2MAPT
SCHEMBL17920045 0.82 GRIK1 (0.37) GRIK1GRIK2MAPT
SCHEMBL1709871 0.82 GRIK1 (0.37) GRIK1GRIK2MAPT
SCHEMBL13540707 0.82 GRIK1 (0.37) GRIK1GRIK2MAPT
SCHEMBL17526444 0.79 GRIK1 (0.32) GRIK1GRIK2LMNA
SCHEMBL473722 0.78 SLC22A6 (0.37) GRIK1GRIK2SLC22A6SMN1; SMN2MAPT

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
US-20090175981-A1 COMPOSITIONS, METHODS AND USES FOR A NOVEL FAMILY OF PEPTIDES THE TEXAS A&M UNIVERSITY SYSTEM (US) 2009-07-09 US disclosed
US-7498404-B2 Compositions, methods and uses for a novel family of peptides THE TEXAS A&M UNIVERSITY SYSTEM (US) 2009-03-03 US disclosed
EP-1765374-A2 COMPOSITIONS, METHODS AND USES FOR A NOVEL FAMILY OF PEPTIDES The Texas A & M Univsersity System (US) 2007-03-28 EP disclosed
US-20060228398-A1 Compositions, methods and uses for a novel family of peptides THE TEXAS A&M UNIVERSITY SYSTEM (US) 2006-10-12 US disclosed
WO-2005074626-A2 COMPOSITIONS, METHODS AND USES FOR A NOVEL FAMILY OF PEPTIDES THE TEXAS A & M UNIVERSITY SYSTEM (US) 2005-08-18 WO disclosed