SCHEMBL8942641

SCHEMBL8942641

CCC(=CCCCCS(=O)(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
GRIK1 P39086 2/20 0.39
EP300 Q09472 1/20 0.39
GRIK2 Q13002 1/20 0.34
APP P05067 1/20 0.33

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
SCHEMBL7781000 0.95 GRIK1 (0.40) EPHX2GRIK1EP300GRIK2APP
SCHEMBL8462088 0.87 GRIK1 (0.37) EPHX2GRIK1EP300GRIK2
SCHEMBL28932718 0.79 EPHX2 (0.41) EPHX2GRIK1EP300GRIK2APP
SCHEMBL1771516 0.79 EP300 (0.61) GRIK1EP300GRIK2
SCHEMBL1771520 0.79 EP300 (0.61) GRIK1EP300GRIK2
SCHEMBL153934 0.78 EPHX2 (0.41) EPHX2EP300APP
SCHEMBL3450780 0.78 APP (0.35) EPHX2GRIK1APP
SCHEMBL153932 0.78 EPHX2 (0.41) EPHX2EP300APP
SCHEMBL3027945 0.77 EP300 (0.64) GRIK1EP300
SCHEMBL5077543 0.77 EP300 (0.64) GRIK1EP300

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-0700424-A1 WATER-BASED PAINT COMPOSITION, PAINTING METHOD AND PAINT FILMS BASF LACKE & FARBEN (DE) 1996-03-13 EP disclosed
WO-1994028077-A1 WATER-BASED PAINT COMPOSITION, PAINTING METHOD AND PAINT FILMS BASF LACKE + FARBEN AG (DE) 1994-12-08 WO disclosed