SCHEMBL1594946

SCHEMBL1594946

CC(=CC(C)C)C(=O)O.CCCCC=C(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.43
GRIK1 P39086 3/20 0.42
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
CD81 P60033 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
GRIA2 P42262 2/20 0.33
GRIA4 P48058 2/20 0.33
GRIK3 Q13003 2/20 0.33
GRIK5 Q16478 2/20 0.33
GRIA1 P42261 1/20 0.33
GRIK2 Q13002 1/20 0.33
FAAH O00519 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32

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
SCHEMBL1594942 1.00 EP300 (0.43) EP300GRIK1F7F3CD81
SCHEMBL7709729 0.89 GRIK1 (0.40) EP300GRIK1CD81GRIA2GRIA4
SCHEMBL7709740 0.89 GRIK1 (0.40) EP300GRIK1CD81GRIA2GRIA4
SCHEMBL6910252 0.87 EP300 (0.54) EP300GRIK1F7F3CD81
SCHEMBL22546 0.87 EP300 (0.54) EP300GRIK1F7F3CD81
SCHEMBL22544 0.87 EP300 (0.54) EP300GRIK1F7F3CD81
SCHEMBL6910247 0.87 EP300 (0.54) EP300GRIK1F7F3CD81
SCHEMBL2406221 0.87 EP300 (0.54) EP300GRIK1F7F3CD81
Acetic Acid SCHEMBL8865364 0.85 EP300 (0.52) EP300GRIK1F7F3CD81
SCHEMBL4963894 0.85 EP300 (0.52) EP300GRIK1F7F3CD81

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-7919544-B2 Ink-media set, ink composition, ink cartridge, inkjet recording method, inkjet recording apparatus, and ink recorded matter RICOH COMPANY, LTD. (JP) 2011-04-05 US disclosed
US-20090043028-A1 INK-MEDIA SET, INK COMPOSITION, INK CARTRIDGE, INKJET RECORDING METHOD, INKJET RECORDING APPARATUS, AND INK RECORDED MATTER RICOH COMPANY, LTD. (JP) 2009-02-12 US disclosed