SCHEMBL50786

SCHEMBL50786

O=S(=O)(c1ccc(O)cc1)c1ccc(OCCOc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)cc1.O=S(=O)(c1ccc(O)cc1)c1ccc(OCOc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.58
GAA P10253 3/20 0.58
ALDH1A1 P00352 2/20 0.51
ELANE P08246 2/20 0.50
NPSR1 Q6W5P4 1/20 0.45
LTA4H P09960 3/20 0.44
NR5A1 Q13285 1/20 0.44
LMNA P02545 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1793666 0.94 PKM (0.63) PKMGAAALDH1A1ELANENPSR1
SCHEMBL1793890 0.94 PKM (0.63) PKMGAAALDH1A1ELANENPSR1
SCHEMBL6333881 0.91 GAA (0.59) PKMGAAALDH1A1ELANENPSR1
SCHEMBL6285323 0.91 GAA (0.59) PKMGAAALDH1A1ELANENPSR1
SCHEMBL1795157 0.90 GAA (0.54) PKMGAAALDH1A1ELANENPSR1
SCHEMBL1790037 0.89 GAA (0.58) PKMGAAALDH1A1ELANENPSR1
SCHEMBL51856 0.89 GAA (0.58) PKMGAAALDH1A1ELANENPSR1
SCHEMBL51746 0.89 GAA (0.61) PKMGAAALDH1A1ELANENPSR1
SCHEMBL6286860 0.89 GAA (0.61) PKMGAAALDH1A1ELANENPSR1
SCHEMBL6288097 0.89 GAA (0.61) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722576-B2 Thermosensitive recording label NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2014-05-13 US disclosed
US-20120208698-A1 THERMOSENSITIVE RECORDING LABEL NIPPON PAPER INDUSTRIES CO., LTD 2012-08-16 US disclosed
US-8129307-B2 Thermosensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2012-03-06 US disclosed
US-20100099557-A1 Thermosensitive Recording Medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2010-04-22 US disclosed