SCHEMBL8814654

SCHEMBL8814654

CCCCC(=CS(=O)(=O)O)C(=O)OBr

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.34
CES2 O00748 1/20 0.34
APEX1 P27695 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA1 P00915 1/20 0.31

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
SCHEMBL8812392 0.83 ALDH1A1 (0.36) CES1CES2APEX1ALDH1A1TP53
SCHEMBL6683245 0.78 APEX1 (0.43) CES1CES2APEX1ALDH1A1TP53
SCHEMBL10706491 0.78 APEX1 (0.43) CES1CES2APEX1ALDH1A1TP53
SCHEMBL27968416 0.71 CA12 (0.33) CES1CES2ALDH1A1CA12CA14
SCHEMBL8812224 0.69 CES1 (0.34) CES1CES2APEX1ALDH1A1TP53
SCHEMBL10997419 0.69 CES1 (0.59) CES1CES2ALDH1A1TP53CA1
SCHEMBL25256281 0.67 CES1 (0.39) CES1CES2ALDH1A1TP53CA12
SCHEMBL7898544 0.66 HDAC3 (0.39) CES1CES2APEX1ALDH1A1
SCHEMBL10865876 0.66 ALDH1A1 (0.36) CES1CES2ALDH1A1
SCHEMBL8811721 0.66 ALDH1A1 (0.36) CES1CES2APEX1ALDH1A1TP53

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 3 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
US-5304395-A Mixing with dispersion of polymer based on vinyl aromatic monomer, unsaturated ester, sulfonate, unsaturated acid STAMICARBON B.V. (NL) 1994-04-19 US 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