SCHEMBL536828

SCHEMBL536828

CC(C)Oc1ccc(S(=O)(=O)c2ccc(OCCCOc3ccc(S(=O)(=O)c4ccc(O)cc4)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
PKM P14618 1/20 0.53
ELANE P08246 1/20 0.47
LTA4H P09960 3/20 0.45
NR5A1 Q13285 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CTRC Q99895 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TSHR P16473 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NAMPT P43490 1/20 0.41
MMP3 P08254 1/20 0.40

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
SCHEMBL536872 0.97 GAA (0.53) GAAPKMELANELTA4HNR5A1
SCHEMBL536903 0.96 GAA (0.51) GAAPKMELANELTA4HNR5A1
SCHEMBL536962 0.96 GAA (0.51) GAAPKMELANELTA4HNR5A1
SCHEMBL537247 0.96 GAA (0.51) GAAPKMELANELTA4HNR5A1
SCHEMBL537261 0.96 GAA (0.51) GAAPKMELANELTA4HNR5A1
SCHEMBL537032 0.95 GAA (0.54) GAAPKMELANELTA4HNR5A1
SCHEMBL30485903 0.93 GAA (0.49) GAAPKMELANELTA4HNR5A1
SCHEMBL26268 0.89 PKM (0.65) GAAPKMELANEKMT2ANAMPT
SCHEMBL6286860 0.87 GAA (0.61) GAAPKMELANELTA4HNR5A1
SCHEMBL51746 0.87 GAA (0.61) GAAPKMELANELTA4HNR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181853-B1 Thermosensitive recording medium JUJO PAPER CO LTD (JP) 2015-09-23 EP disclosed
US-8722576-B2 Thermosensitive recording label NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2014-05-13 US disclosed
EP-2415614-B1 COATING SOLUTION FOR HEAT-SENSITIVE COLOR-DEVELOPING LAYER, AND HEAT-SENSITIVE RECORDING MATERIAL JUJO PAPER CO LTD (JP) 2014-01-22 EP disclosed
EP-2474963-B1 THERMOSENSITIVE RECORDING LABEL JUJO PAPER CO LTD (JP) 2013-11-13 EP disclosed
US-8492308-B2 Thermosensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2013-07-23 US disclosed
US-8470735-B2 Coating solution for heat-sensitive color-developing layer, and heat-sensitive recording material NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2013-06-25 US disclosed
US-20120208698-A1 THERMOSENSITIVE RECORDING LABEL NIPPON PAPER INDUSTRIES CO., LTD 2012-08-16 US disclosed
US-20120157303-A1 COATING SOLUTION FOR HEAT-SENSITIVE COLOR-DEVELOPING LAYER, AND HEAT-SENSITIVE RECORDING MATERIAL API CORPORATION (JP) 2012-06-21 US disclosed
EP-2415614-A1 COATING SOLUTION FOR HEAT-SENSITIVE COLOR-DEVELOPING LAYER, AND HEAT-SENSITIVE RECORDING MATERIAL Nippon Paper Industries Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20110130281-A1 THERMOSENSITIVE RECORDING MEDIUM API CORPORATION 2011-06-02 US disclosed
EP-2181853-A1 THERMAL RECORDING MATERIAL Nippon Paper Industries Co., Ltd. (JP) 2010-05-05 EP disclosed