SCHEMBL30301204

SCHEMBL30301204

O=c1oc2c(O)cccc2c2c(O)c(O)c(O)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.59
KDM4E B2RXH2 3/20 0.59
MEN1 O00255 3/20 0.59
MAPT P10636 3/20 0.59
HPGD P15428 3/20 0.59
APEX1 P27695 3/20 0.59
RECQL P46063 3/20 0.59
BLM P54132 3/20 0.59
KMT2A Q03164 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
EGFR P00533 2/20 0.59
PKLR P30613 2/20 0.59
GALNT2 Q10471 2/20 0.59
TP53 P04637 2/20 0.59
POLB P06746 2/20 0.59
GAA P10253 2/20 0.59
THRB P10828 2/20 0.59
ALOX15 P16050 2/20 0.59
CCNA2 P20248 2/20 0.59
CDK2 P24941 2/20 0.59

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
SCHEMBL2357304 0.82 PKLR (0.68) MAOAKDM4EMEN1MAPTHPGD
SCHEMBL29827270 0.82 PKLR (0.68) MAOAKDM4EMEN1MAPTHPGD
SCHEMBL29466713 0.82 PKLR (0.68) MAOAKDM4EMEN1MAPTHPGD
Ellagic Acid SCHEMBL20876917 0.80 HPGD (0.79) MAOAKDM4EMEN1MAPTHPGD
SCHEMBL22894780 0.76 KDM4E (0.72) MAOAKDM4EMEN1MAPTHPGD
SCHEMBL8492619 0.75 ATP1A1 (0.56) MAOAKDM4EMEN1MAPTHPGD
SCHEMBL26779869 0.75 ESR2 (0.64) MAOAEGFRCA12CA1CA2
Ellagic Acid SCHEMBL2168301 0.75 KDM4E (0.77) MAOAKDM4EMEN1MAPTHPGD
Ellagic Acid SCHEMBL30475160 0.75 KDM4E (1.00) MAOAKDM4EMEN1MAPTHPGD
Ellagic Acid SCHEMBL1645767 0.75 KDM4E (1.00) MAOAKDM4EMEN1MAPTHPGD

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
WO-2023041660-A1 COMPOSITION FOR OPTIMIZING UROLITHIN PRODUCTION IN A HUMAN SUBJECT MIGALIS APS (DK) 2023-03-23 WO disclosed