SCHEMBL8814840

SCHEMBL8814840

CCCCC(=CCCS(=O)(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.41
APEX1 P27695 4/20 0.39
EPHX2 P34913 1/20 0.39
EP300 Q09472 1/20 0.38
GRIK2 Q13002 1/20 0.37
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
TERT O14746 3/20 0.33
PTPN1 P18031 3/20 0.33
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
MAPT P10636 2/20 0.33
BLM P54132 2/20 0.33
HSD17B10 Q99714 2/20 0.33
FABP4 P15090 2/20 0.33
F7 P08709 2/20 0.33
F3 P13726 2/20 0.33
TOP1 P11387 2/20 0.33
GMNN O75496 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
SCHEMBL8813709 0.93 EP300 (0.43) APEX1EPHX2EP300TERTPTPN1
SCHEMBL2932895 0.89 GRIK1 (0.39) GRIK1EPHX2EP300GRIK2CES2
SCHEMBL11864361 0.83 CA1 (0.41) EPHX2CES2CES1
SCHEMBL8462088 0.82 GRIK1 (0.37) GRIK1EPHX2EP300GRIK2BLM
SCHEMBL28932718 0.81 EPHX2 (0.41) GRIK1APEX1EPHX2EP300GRIK2
SCHEMBL7559357 0.81 GRIK1 (0.52) GRIK1APEX1EP300GRIK2CES2
SCHEMBL4375273 0.81 GRIK1 (0.58) GRIK1APEX1EP300GRIK2CES2
SCHEMBL811158 0.81 GRIK1 (0.58) GRIK1APEX1EP300GRIK2CES2
SCHEMBL811600 0.81 GRIK1 (0.52) GRIK1APEX1EP300GRIK2CES2
SCHEMBL7562280 0.81 GRIK1 (0.58) GRIK1APEX1EP300GRIK2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439233-B2 Use of a plastic dispersion as coating for inorganic and organic particles DSM NV (NL) 1997-12-03 EP disclosed
EP-0439233-A1 Use of a plastic dispersion as coating for inorganic and organic particles DSM N.V. (NL) 1991-07-31 EP 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