SCHEMBL2570818

SCHEMBL2570818

O=C(O)C1C=CC(O)(O)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1665143 0.74 FFAR3 (0.33) POLBAPEX1TDP1
SCHEMBL638769 0.70 POLB (0.46) POLBAPEX1TDP1
SCHEMBL27514165 0.70
SCHEMBL12492015 0.66 POLB (0.42) POLBAPEX1TDP1
SCHEMBL12491887 0.66 POLB (0.42) POLBAPEX1TDP1
SCHEMBL12492014 0.66 POLB (0.42) POLBAPEX1TDP1
SCHEMBL17827137 0.62
SCHEMBL1627758 0.62
SCHEMBL386786 0.61
SCHEMBL7340145 0.61

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-2382200-A1 COMPETITIVE INHIBITORS OF TYPE II DEHYDROQUINASE ENZYME Universidade De Santiago De Compostela (ES) 2011-11-02 EP claimed
WO-2010072813-A1 COMPETITIVE INHIBITORS OF TYPE II DEHYDROQUINASE ENZYME UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2010-07-01 WO claimed