Ellagic Acid

Ellagic Acid

SCHEMBL2462871

O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23

nearest known ligand 0.57

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
MAPT P10636 4/20 0.57
APEX1 P27695 3/20 0.57
RECQL P46063 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
HPGD P15428 3/20 0.57
BLM P54132 3/20 0.57
POLB P06746 3/20 0.57
GAA P10253 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PKLR P30613 2/20 0.57
GALNT2 Q10471 2/20 0.57
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA13 Q8N1Q1 2/20 0.57
LMNA P02545 2/20 0.57
MAPK1 P28482 2/20 0.57

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 SCHEMBL29439360 0.76 KDM4E (1.00) KDM4EMAPTAPEX1RECQLTDP1
Ellagic Acid SCHEMBL30475160 0.76 KDM4E (1.00) KDM4EMAPTAPEX1RECQLTDP1
Ellagic Acid SCHEMBL28824363 0.73 KDM4E (0.92) KDM4EMAPTAPEX1RECQLTDP1
Demannose SCHEMBL15559865 0.71 LMNA (0.42) KDM4ETDP1GAALMNAUSP2
Demannose SCHEMBL2856676 0.71 LMNA (0.55) KDM4ETDP1LMNAUSP2AKR1B1
Demannose SCHEMBL1812 0.69 LMNA (0.58) KDM4EMAPTTDP1LMNAUSP2
Demannose SCHEMBL13947310 0.69 LMNA (0.58) KDM4EMAPTTDP1LMNAUSP2
Demannose SCHEMBL6529193 0.69 LMNA (0.58) KDM4EMAPTTDP1LMNAUSP2
Demannose SCHEMBL2290731 0.69 LMNA (0.58) KDM4EMAPTTDP1LMNAUSP2
Demannose SCHEMBL20956808 0.69 LMNA (0.58) KDM4EMAPTTDP1LMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2663342-A1 STABLE HYDROGEL COMPOSITIONS INCLUDING ADDITIVES Allergan, Inc. (US) 2013-11-20 EP disclosed
EP-2544652-A2 A FLUID COMPOSITION COMPRISING A HYALURONAN POLYMER AND MANNITOL FOR IMPROVING SKIN CONDITION. Allergan Industrie SAS (FR) 2013-01-16 EP disclosed
WO-2012097272-A1 STABLE HYDROGEL COMPOSITIONS INCLUDING ADDITIVES ALLERGAN, INC. (US) 2012-07-19 WO disclosed
WO-2011110894-A2 FLUID COMPOSITION FOR IMPROVING SKIN CONDITIONS ALLERGAN INDUSTRIE SAS (FR) 2011-09-15 WO disclosed