SCHEMBL6285930

SCHEMBL6285930

O=S(=O)(c1ccc(O)cc1)c1ccc(OC/C=C/COc2ccc(S(=O)(=O)c3ccc(OCCOc4ccc(S(=O)(=O)c5ccc(O)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
PKM P14618 2/20 0.53
ALDH1A1 P00352 2/20 0.47
ELANE P08246 2/20 0.46
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
LTA4H P09960 3/20 0.41
NR5A1 Q13285 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6297164 0.95 GAA (0.51) GAAPKMALDH1A1ELANENPSR1
SCHEMBL6282736 0.95 GAA (0.51) GAAPKMALDH1A1ELANENPSR1
SCHEMBL51420 0.95 PKM (0.58) GAAPKMALDH1A1ELANENPSR1
SCHEMBL50900 0.95 PKM (0.58) GAAPKMALDH1A1ELANENPSR1
SCHEMBL51114 0.95 PKM (0.58) GAAPKMALDH1A1ELANENPSR1
SCHEMBL50901 0.95 PKM (0.58) GAAPKMALDH1A1ELANENPSR1
SCHEMBL51566 0.95 PKM (0.58) GAAPKMALDH1A1ELANENPSR1
SCHEMBL1793890 0.90 PKM (0.63) GAAPKMALDH1A1ELANENPSR1
SCHEMBL6333881 0.86 GAA (0.59) GAAPKMALDH1A1ELANENPSR1
SCHEMBL6285323 0.86 GAA (0.59) GAAPKMALDH1A1ELANENPSR1

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