SCHEMBL1836003

SCHEMBL1836003

CC(O)COc1ccc(S(=O)(=O)c2ccc(OC(Oc3ccc(S(=O)(=O)c4ccc(O)cc4)cc3)C(C)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
PKM P14618 2/20 0.48
LMNA P02545 3/20 0.43
ELANE P08246 1/20 0.43
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADRB1 P08588 6/20 0.38
ADRB2 P07550 5/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
CA12 O43570 2/20 0.38
ADRB3 P13945 5/20 0.38
CTRC Q99895 1/20 0.38
CA4 P22748 2/20 0.37
CA7 P43166 2/20 0.37

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
SCHEMBL1395595 0.92 PTGS1 (0.48) GAAPKMLMNAELANEPTGS1
SCHEMBL52039 0.89 PKM (0.59) GAAPKMLMNAELANEALDH1A1
SCHEMBL1836005 0.86 GAA (0.53) GAAPKMLMNAELANEPTGS1
SCHEMBL9421505 0.84 LMNA (0.58) GAAPKMLMNAELANEALDH1A1
SCHEMBL1793112 0.82 PKM (0.54) GAAPKMLMNAELANEPTGS1
SCHEMBL830215 0.80 GAA (0.59) GAAPKMLMNAELANEPTGS1
SCHEMBL1831628 0.79 PKM (0.53) GAAPKMLMNAELANEPTGS1
SCHEMBL13606121 0.79 HTT (0.49) GAAPKMLMNAELANEPTGS1
SCHEMBL51473 0.78 GAA (0.56) GAAPKMLMNAELANEPTGS1
SCHEMBL1395596 0.78 GAA (0.56) GAAPKMLMNAELANEPTGS1

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