SCHEMBL13957114

SCHEMBL13957114

O=C(O)CCC(=O)Nc1ccc(O)cc1O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.71
▸ CYP1A1 P04798 1/20 0.59
▸ MAPK1 P28482 2/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CXCR1 P25024 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SHMT2 P34897 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.45
▸ BCHE P06276 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL14003559 0.83 TDP1 (0.68) TDP1CYP1A1MAPK1KDM4EGAA
SCHEMBL15797981 0.83 TDP1 (1.00) TDP1CYP1A1MAPK1KDM4EGAA
SCHEMBL13957115 0.82 ALDH1A1 (0.56) TDP1KDM4EGAAL3MBTL1ALDH1A1
SCHEMBL19427485 0.79 KMT2A (0.51) TDP1KDM4ECXCR1ALDH1A1HSD17B10
SCHEMBL9850232 0.79 TDP1 (0.61) TDP1CYP1A1MAPK1KDM4EGAA
SCHEMBL2748272 0.79 ALDH1A1 (0.53) TDP1MAPK1KDM4ECXCR1ALDH1A1
SCHEMBL8756355 0.78 EP300 (0.62) TDP1KDM4EGAAL3MBTL1ALDH1A1
SCHEMBL3203835 0.77 APEX1 (0.51) TDP1CYP1A1KDM4EL3MBTL1CXCR1
SCHEMBL13166882 0.75 POLB (0.76) TDP1MAPK1GAAL3MBTL1HPGD
SCHEMBL8072487 0.75 ALDH1A1 (0.50) TDP1MAPK1KDM4EGAACXCR1

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-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 — — EP disclosed
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