SCHEMBL3516778

SCHEMBL3516778

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.38
GRIA4 P48058 1/20 0.38
GRIK3 Q13003 1/20 0.38
GRIK5 Q16478 1/20 0.38
FFAR3 O14843 1/20 0.36
TDP1 Q9NUW8 2/20 0.30
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 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
SCHEMBL3516773 1.00 GRIK1 (0.38) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL10193601 1.00 GRIK1 (0.38) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL305210 0.98 GRIK1 (0.36) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL305208 0.98 GRIK1 (0.36) GRIK1GRIA4GRIK3GRIK5FFAR3
Dimethylamine SCHEMBL3517020 0.93 GRIK1 (0.34) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL5455564 0.85 TP53 (0.41) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL5798580 0.85 TP53 (0.41) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL305159 0.82 FFAR3 (0.31) FFAR3
SCHEMBL305161 0.82 GRIK1 (0.33) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL15751550 0.82 GRIK1 (0.33) GRIK1GRIA4GRIK3GRIK5FFAR3

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
US-8236917-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2012-08-07 US disclosed
US-20100240855-A1 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2010-09-23 US disclosed