SCHEMBL1831628

SCHEMBL1831628

O=S(=O)(c1ccc(O)cc1)c1ccc(OCC(COc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)Oc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.53
GAA P10253 3/20 0.53
ALDH1A1 P00352 3/20 0.47
ELANE P08246 2/20 0.46
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA7 P43166 2/20 0.40
CTRC Q99895 1/20 0.40
CA4 P22748 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 2/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1793460 0.91 PKM (0.51) PKMGAAALDH1A1ELANENPSR1
SCHEMBL15118180 0.87 GAA (0.48) PKMGAAALDH1A1ELANENPSR1
SCHEMBL536932 0.86 GAA (0.61) PKMGAAALDH1A1ELANENPSR1
SCHEMBL1793112 0.84 PKM (0.54) PKMGAAALDH1A1ELANENPSR1
SCHEMBL51473 0.83 GAA (0.56) PKMGAAALDH1A1ELANENPSR1
SCHEMBL1395596 0.83 GAA (0.56) PKMGAAALDH1A1ELANENPSR1
SCHEMBL830215 0.82 GAA (0.59) PKMGAAALDH1A1ELANENPSR1
SCHEMBL1794645 0.82 PKM (0.47) PKMGAAALDH1A1ELANENPSR1
SCHEMBL1793666 0.79 PKM (0.63) PKMGAAALDH1A1ELANENPSR1
SCHEMBL1793890 0.79 PKM (0.63) PKMGAAALDH1A1ELANENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2112001-B1 THERMOSENSITIVE RECORDING MEDIUM JUJO PAPER CO LTD (JP) 2011-05-11 EP disclosed