SCHEMBL18602000

SCHEMBL18602000

O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)ccc1c4c23

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKLR P30613 2/20 0.79
GALNT2 Q10471 2/20 0.79
KDM4E B2RXH2 2/20 0.79
MEN1 O00255 2/20 0.79
MAPT P10636 2/20 0.79
HPGD P15428 2/20 0.79
APEX1 P27695 2/20 0.79
RECQL P46063 2/20 0.79
BLM P54132 2/20 0.79
KMT2A Q03164 2/20 0.79
TDP1 Q9NUW8 2/20 0.79
MET P08581 2/20 0.79
CA12 O43570 2/20 0.79
CA1 P00915 2/20 0.79
CA7 P43166 2/20 0.79
CA9 Q16790 2/20 0.79
CA13 Q8N1Q1 2/20 0.79
PLK4 O00444 1/20 0.79
IKBKB O14920 1/20 0.79
AURKA O14965 1/20 0.79

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
Ellagic Acid SCHEMBL1645767 0.89 KDM4E (1.00) PKLRGALNT2KDM4EMEN1MAPT
Ellagic Acid SCHEMBL30475160 0.89 KDM4E (1.00) PKLRGALNT2KDM4EMEN1MAPT
Ellagic Acid SCHEMBL29439360 0.89 KDM4E (1.00) PKLRGALNT2KDM4EMEN1MAPT
Ellagic Acid SCHEMBL20429 0.89 KDM4E (1.00) PKLRGALNT2KDM4EMEN1MAPT
Ellagic Acid SCHEMBL9146254 0.87 KDM4E (0.96) PKLRGALNT2KDM4EMEN1MAPT
Ellagic Acid SCHEMBL8686551 0.87 KDM4E (0.96) PKLRGALNT2KDM4EMEN1MAPT
Ellagic Acid SCHEMBL177722 0.87 KDM4E (0.96) PKLRGALNT2KDM4EMEN1MAPT
Ellagic Acid SCHEMBL8686557 0.87 KDM4E (0.96) PKLRGALNT2KDM4EMEN1MAPT
Ellagic Acid SCHEMBL21590140 0.87 KDM4E (0.96) PKLRGALNT2KDM4EMEN1MAPT
Ellagic Acid SCHEMBL8686700 0.87 KDM4E (0.96) PKLRGALNT2KDM4EMEN1MAPT

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
EP-2301520-B1 Oxidative dye HENKEL AG & CO KGAA (DE) 2017-03-08 EP disclosed