SCHEMBL6519495

SCHEMBL6519495

COC(=O)CC(C(=O)O)C(=CC1CCCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 1/20 0.44
EPHX2 P34913 3/20 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
SCHEMBL6520859 0.84 GRIK1 (0.43) GRIK1GRIK2
SCHEMBL6519224 0.84 GRIK1 (0.41) GRIK1GRIK2
SCHEMBL6513730 0.84 GRIK1 (0.43) GRIK1GRIK2
SCHEMBL6514895 0.83 GRIK1 (0.47) GRIK1GRIK2
SCHEMBL6523832 0.82 GRIK1 (0.44) GRIK1GRIK2
SCHEMBL6519189 0.82 GRIK1 (0.44) GRIK1GRIK2
SCHEMBL6523914 0.79 GRIK1 (0.42) GRIK1GRIK2EPHX2
SCHEMBL6518894 0.79 GRIK1 (0.47) GRIK1GRIK2
SCHEMBL6519776 0.78 GRIK1 (0.46) GRIK1GRIK2
SCHEMBL6520989 0.78 ALDH1A1 (0.39) GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed