SCHEMBL1836005

SCHEMBL1836005

CC(O)COc1ccc(S(=O)(=O)c2ccc(OCC(O)COc3ccc(S(=O)(=O)c4ccc(O)cc4)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
LMNA P02545 2/20 0.47
ADRB1 P08588 9/20 0.47
ADRB2 P07550 8/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
CA12 O43570 3/20 0.47
ADRB3 P13945 7/20 0.47
CA4 P22748 2/20 0.47
CA7 P43166 2/20 0.47
ELANE P08246 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1395596 0.92 GAA (0.56) GAAPKMPTGS1SLC6A2LMNA
SCHEMBL51473 0.92 GAA (0.56) GAAPKMPTGS1SLC6A2LMNA
SCHEMBL13606121 0.91 HTT (0.49) GAAPKMPTGS1SLC6A2LMNA
SCHEMBL9421505 0.89 LMNA (0.58) GAAPKMLMNAADRB1ADRB2
SCHEMBL9559214 0.87 CA1 (0.51) GAAPKMPTGS1SLC6A2ADRB1
SCHEMBL1836003 0.86 GAA (0.48) GAAPKMPTGS1SLC6A2LMNA
SCHEMBL1395595 0.86 PTGS1 (0.48) GAAPKMPTGS1SLC6A2LMNA
SCHEMBL830215 0.84 GAA (0.59) GAAPKMPTGS1SLC6A2LMNA
SCHEMBL10922516 0.82 LMNA (0.67) PTGS1SLC6A2LMNAADRB1ADRB2
SCHEMBL1793112 0.81 PKM (0.54) GAAPKMPTGS1SLC6A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2112001-B1 THERMOSENSITIVE RECORDING MEDIUM JUJO PAPER CO LTD (JP) 2011-05-11 EP disclosed
EP-2112001-A1 THERMAL RECORDING MATERIAL Nippon Paper Industries CO., LTD. (JP) 2009-10-28 EP disclosed