SCHEMBL2932895

SCHEMBL2932895

CCCC(=CCCS(=O)(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.39
GRIK2 Q13002 2/20 0.39
EPHX2 P34913 1/20 0.37
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
EP300 Q09472 1/20 0.32
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL8814840 0.89 GRIK1 (0.41) GRIK1GRIK2EPHX2EP300CES2
SCHEMBL28932718 0.88 EPHX2 (0.41) GRIK1GRIK2EPHX2FFAR3HDAC3
SCHEMBL8813709 0.86 EP300 (0.43) EPHX2EP300
SCHEMBL8462088 0.85 GRIK1 (0.37) GRIK1GRIK2EPHX2EP300
SCHEMBL800038 0.80 GRIK1 (0.55) GRIK1GRIK2FFAR3HDAC3HDAC1
SCHEMBL811730 0.80 GRIK1 (0.55) GRIK1GRIK2FFAR3HDAC3HDAC1
SCHEMBL4246377 0.80 GRIK1 (0.55) GRIK1GRIK2FFAR3HDAC3HDAC1
SCHEMBL21635654 0.78 GRIK1 (0.53) GRIK1GRIK2FFAR3HDAC3HDAC1
SCHEMBL21635680 0.78 GRIK1 (0.53) GRIK1GRIK2FFAR3HDAC3HDAC1
SCHEMBL21635669 0.78 GRIK1 (0.53) GRIK1GRIK2FFAR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229151-B1 SALTS OF ACTIVE INGREDIENTS WITH POLYMERIC COUNTER-IONS BASF SE (DE) 2012-08-08 EP disclosed
EP-2229151-A1 SALTS OF ACTIVE INGREDIENTS WITH POLYMERIC COUNTER-IONS BASF SE (DE) 2010-09-22 EP disclosed
WO-2009074609-A1 SALTS OF ACTIVE INGREDIENTS WITH POLYMERIC COUNTER-IONS BASF SE (DE) 2009-06-18 WO disclosed
US-4071508-A SIMULTANEOUS POLYMERIZATION PLASTOMEDICAL SCIENCES, INC. (US) 1978-01-31 US disclosed
US-4036788-A Anionic hydrogels based on heterocyclic N-vinyl monomers PLASTOMEDICAL SCIENCES, INC. (US) 1977-07-19 US disclosed