SCHEMBL6905094

SCHEMBL6905094

COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2O[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
P4HB P07237 5/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
SLCO2B1 O94956 3/20 0.62
POLB P06746 2/20 0.62
GAA P10253 2/20 0.62
MAPT P10636 2/20 0.62
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
MPI P34949 1/20 0.62
NAMPT P43490 1/20 0.62
RECQL P46063 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
EPHX2 P34913 4/20 0.58
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
MMP9 P14780 1/20 0.57
AKR1B1 P15121 2/20 0.54
MAOA P21397 2/20 0.54

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
SCHEMBL8374228 0.88 KDM4E (0.71) P4HBL3MBTL1SLCO2B1POLBGAA
SCHEMBL925803 0.88 KDM4E (0.71) P4HBL3MBTL1SLCO2B1POLBGAA
SCHEMBL6903921 0.88 NQO2 (0.70) P4HBL3MBTL1SLCO2B1POLBGAA
SCHEMBL29887944 0.82 MEN1 (0.96) MEN1KMT2AP4HBL3MBTL1SLCO2B1
SCHEMBL4650080 0.80 MEN1 (1.00) MEN1KMT2AP4HBL3MBTL1SLCO2B1
SCHEMBL29962206 0.80 MEN1 (1.00) MEN1KMT2AP4HBL3MBTL1SLCO2B1
SCHEMBL4649376 0.80 MEN1 (1.00) MEN1KMT2AP4HBL3MBTL1SLCO2B1
SCHEMBL4649377 0.80 MEN1 (1.00) MEN1KMT2AP4HBL3MBTL1SLCO2B1
SCHEMBL4650081 0.80 MEN1 (1.00) MEN1KMT2AP4HBL3MBTL1SLCO2B1
Myricitrin SCHEMBL20339726 0.79 P4HB (0.74) P4HBL3MBTL1SLCO2B1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6814985-B1 USEFUL IN THE TREATMENT OR PROPHYLAXIS OF TYPE I HYPERSENSITIVITY REACTIONS SUCH AS BUT NOT LIMITED TO IGE-BASED RESPIRATORY DISORDERS G & W Aust Pty. Ltd. (AU) 2004-11-09 US disclosed