SCHEMBL13655827

SCHEMBL13655827

C=C(C)C(=O)OCCOC(=O)c1ccc(C(=O)O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SERPINE1 P05121 5/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ESR1 P03372 3/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TYR P14679 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL837846 0.89 POLB (0.50) POLBAPEX1HTTTDP1SERPINE1
SCHEMBL14262508 0.88 TDP1 (0.49) POLBAPEX1HTTTDP1SERPINE1
SCHEMBL14262501 0.88 POLB (0.49) POLBAPEX1HTTTDP1SERPINE1
SCHEMBL29657635 0.88 POLB (0.49) POLBAPEX1HTTTDP1SERPINE1
SCHEMBL19320454 0.86 POLB (0.48) POLBAPEX1HTTTDP1SERPINE1
SCHEMBL838089 0.86 CA12 (0.59) POLBAPEX1HTTTDP1SERPINE1
SCHEMBL4066747 0.85 POLB (0.47) POLBAPEX1HTTTDP1SERPINE1
SCHEMBL12394951 0.85 POLB (0.47) POLBAPEX1HTTTDP1SERPINE1
SCHEMBL12394952 0.85 POLB (0.47) POLBAPEX1HTTTDP1SERPINE1
SCHEMBL11228078 0.84 TDP1 (0.54) POLBAPEX1HTTTDP1SERPINE1

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
US-20090246699-A1 PLATE-MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed