SCHEMBL4665566

SCHEMBL4665566

CCC/C=C(/CO)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.55
GRIK2 Q13002 3/20 0.55
EP300 Q09472 1/20 0.39
CPB1 P15086 1/20 0.33
ABAT P80404 1/20 0.32
OR51E2 Q9H255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
APEX1 P27695 1/20 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
SCHEMBL1905712 1.00 GRIK1 (0.55) GRIK1GRIK2EP300CPB1ABAT
SCHEMBL984850 0.86 GRIK1 (0.58) GRIK1GRIK2EP300APEX1
SCHEMBL7561363 0.85 EP300 (0.59) GRIK1GRIK2EP300APEX1
SCHEMBL8055460 0.85 EP300 (0.59) GRIK1GRIK2EP300APEX1
SCHEMBL7173369 0.85 EP300 (0.59) GRIK1GRIK2EP300APEX1
SCHEMBL3656820 0.83 GRIK1 (0.57) GRIK1GRIK2EP300CPB1ABAT
SCHEMBL714326 0.83 GRIK1 (0.57) GRIK1GRIK2EP300CPB1ABAT
SCHEMBL714325 0.83 GRIK1 (0.57) GRIK1GRIK2EP300CPB1ABAT
SCHEMBL7176279 0.83 EP300 (0.62) GRIK1EP300APEX1
SCHEMBL811600 0.82 GRIK1 (0.52) GRIK1GRIK2EP300ALDH1A1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1743909-B1 Extrudate containing a coating REHAU AG & CO (DE) 2008-05-07 EP disclosed
EP-1743909-A1 Extrudate containing a coating REHAU AG + Co (DE) 2007-01-17 EP disclosed