SCHEMBL536932

SCHEMBL536932

CCC(COc1ccc(S(=O)(=O)c2ccc(OC(CC)COc3ccc(S(=O)(=O)c4ccc(OC(CC)COc5ccc(S(=O)(=O)c6ccc(O)cc6)cc5)cc4)cc3)cc2)cc1)Oc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.61
PKM P14618 3/20 0.61
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
ADRB3 P13945 4/20 0.43
ADRB1 P08588 2/20 0.43
ALDH1A1 P00352 3/20 0.43
ADRB2 P07550 1/20 0.43
CTRC Q99895 1/20 0.42
ELANE P08246 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41

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 0.95 PKM (0.51) GAAPKMALDH1A1CTRCELANE
SCHEMBL15118180 0.91 GAA (0.48) GAAPKMALDH1A1CTRCELANE
SCHEMBL1831628 0.86 PKM (0.53) GAAPKMALDH1A1CTRCELANE
SCHEMBL828851 0.78 PKM (1.00) GAAPKMELANEMAPTCA1
SCHEMBL1793112 0.78 PKM (0.54) GAAPKMADRB3ADRB1ALDH1A1
SCHEMBL10703714 0.78 HIF1A (0.47) MEN1LMNAKMT2A
SCHEMBL537312 0.78 PKM (0.77) GAAPKMTSHRALDH1A1ELANE
SCHEMBL18116376 0.78 THRB (0.44) GAAPKMALDH1A1CTRCELANE
SCHEMBL21219197 0.77 PKM (0.52) GAAPKMALDH1A1CTRCELANE
SCHEMBL7753235 0.76 PKM (0.75) GAAPKMALDH1A1NPC1MAPT

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-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
EP-2474963-A1 HEAT-SENSITIVE RECORDING LABEL Nippon Paper Industries Co., Ltd. (JP) 2012-07-11 EP 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