SCHEMBL6283686

SCHEMBL6283686

O=S(=O)(c1ccc(O)cc1)c1ccc(OCCCCCCOc2ccc(S(=O)(=O)c3ccc(OCCCCCCOc4ccc(S(=O)(=O)c5ccc(O)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
PKM P14618 1/20 0.59
NR5A1 Q13285 1/20 0.59
ALDH1A1 P00352 1/20 0.53
LTA4H P09960 3/20 0.51
ELANE P08246 1/20 0.51
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
CA4 P22748 1/20 0.47
TSHR P16473 1/20 0.47
CA7 P43166 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL1793705 1.00 GAA (0.59) GAAPKMNR5A1ALDH1A1LTA4H
SCHEMBL83964 1.00 GAA (0.59) GAAPKMNR5A1ALDH1A1LTA4H
SCHEMBL1792279 1.00 GAA (0.59) GAAPKMNR5A1ALDH1A1LTA4H
SCHEMBL1792009 1.00 GAA (0.59) GAAPKMNR5A1ALDH1A1LTA4H
SCHEMBL50823 1.00 GAA (0.59) GAAPKMNR5A1ALDH1A1LTA4H
SCHEMBL6285629 1.00 GAA (0.59) GAAPKMNR5A1ALDH1A1LTA4H
SCHEMBL1793920 1.00 GAA (0.59) GAAPKMNR5A1ALDH1A1LTA4H
SCHEMBL1792799 1.00 GAA (0.59) GAAPKMNR5A1ALDH1A1LTA4H
SCHEMBL1790027 1.00 GAA (0.59) GAAPKMNR5A1ALDH1A1LTA4H
SCHEMBL6288097 0.98 GAA (0.61) GAAPKMNR5A1ALDH1A1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960553-B2 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD. (JP) 2005-11-01 US disclosed
US-6921740-B1 Electron-receiving compound and thermal recording material MITSUBISHI PAPER MIILS LTD. (JP) 2005-07-26 US disclosed
US-20030186810-A1 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD. 2003-10-02 US disclosed