SCHEMBL6286860

SCHEMBL6286860

O=S(=O)(c1ccc(O)cc1)c1ccc(OCCCOc2ccc(S(=O)(=O)c3ccc(OCCCOc4ccc(S(=O)(=O)c5ccc(O)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
PKM P14618 3/20 0.61
ALDH1A1 P00352 2/20 0.55
ELANE P08246 1/20 0.53
LTA4H P09960 3/20 0.52
NR5A1 Q13285 1/20 0.52
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
TSHR P16473 1/20 0.49
CA7 P43166 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
CA4 P22748 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL51746 1.00 GAA (0.61) GAAPKMALDH1A1ELANELTA4H
SCHEMBL6333881 0.98 GAA (0.59) GAAPKMALDH1A1ELANELTA4H
SCHEMBL6334390 0.98 GAA (0.59) GAAPKMALDH1A1ELANELTA4H
SCHEMBL6288097 0.96 GAA (0.61) GAAPKMALDH1A1ELANELTA4H
SCHEMBL51745 0.96 GAA (0.61) GAAPKMALDH1A1ELANELTA4H
SCHEMBL6285323 0.94 GAA (0.59) GAAPKMALDH1A1ELANELTA4H
SCHEMBL1790027 0.94 GAA (0.59) GAAPKMALDH1A1ELANELTA4H
SCHEMBL1793920 0.94 GAA (0.59) GAAPKMALDH1A1ELANELTA4H
SCHEMBL6283686 0.94 GAA (0.59) GAAPKMALDH1A1ELANELTA4H
SCHEMBL6285629 0.94 GAA (0.59) GAAPKMALDH1A1ELANELTA4H

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