SCHEMBL11906263

SCHEMBL11906263

O=S(=O)(OC/C=C/COc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)c1ccc(S(=O)(=O)c2ccc(OC/C=C/COc3ccc(S(=O)(=O)c4ccc(S(=O)(=O)OC/C=C/COc5ccc(S(=O)(=O)c6ccc(O)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
PKM P14618 3/20 0.49
ALDH1A1 P00352 2/20 0.44
ELANE P08246 1/20 0.43
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37

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
SCHEMBL50901 0.91 PKM (0.58) GAAPKMALDH1A1ELANELMNA
SCHEMBL51420 0.91 PKM (0.58) GAAPKMALDH1A1ELANELMNA
SCHEMBL51566 0.91 PKM (0.58) GAAPKMALDH1A1ELANELMNA
SCHEMBL50900 0.91 PKM (0.58) GAAPKMALDH1A1ELANELMNA
SCHEMBL51114 0.91 PKM (0.58) GAAPKMALDH1A1ELANELMNA
SCHEMBL6285930 0.86 GAA (0.53) GAAPKMALDH1A1ELANELMNA
SCHEMBL6282736 0.85 GAA (0.51) GAAPKMALDH1A1ELANENPSR1
SCHEMBL6297164 0.85 GAA (0.51) GAAPKMALDH1A1ELANENPSR1
SCHEMBL8570843 0.82 PKM (0.56) GAAPKMALDH1A1ELANELMNA
SCHEMBL8570841 0.82 PKM (0.56) GAAPKMALDH1A1ELANELMNA

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 2 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