SCHEMBL6231696

SCHEMBL6231696

C=C(C)C(=O)OCCC(CC(=O)O)C(=O)O.C=C(C)C(=O)OCCc1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FOLH1 Q04609 6/20 0.34
THRB P10828 1/20 0.32
PPARA Q07869 2/20 0.31
PPARG P37231 1/20 0.31
SLC37A4 O43826 1/20 0.31
CPA1 P15085 2/20 0.31
CPB1 P15086 1/20 0.31
CPA3 P15088 1/20 0.31
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL36344 0.87 POLB (0.43) POLBAPEX1HTTTDP1FOLH1
Itaconate SCHEMBL2638844 0.81 HTT (0.37) POLBAPEX1HTTTDP1FOLH1
SCHEMBL5442445 0.80 POLB (0.47) POLBAPEX1HTTTDP1FOLH1
SCHEMBL5441216 0.79 POLB (0.49) POLBAPEX1HTTTDP1FOLH1
SCHEMBL472203 0.78 POLB (0.38) POLBAPEX1HTTTDP1FOLH1
SCHEMBL159197 0.78 FOLH1 (0.46) POLBAPEX1HTTTDP1FOLH1
SCHEMBL6323141 0.78 FOLH1 (0.58) POLBAPEX1HTTTDP1FOLH1
SCHEMBL5780647 0.77 THRB (0.39) POLBAPEX1HTTTDP1THRB
SCHEMBL28325652 0.76 THRB (0.35) POLBAPEX1HTTTDP1FOLH1
SCHEMBL21112016 0.75 FOLH1 (0.50) POLBAPEX1HTTTDP1FOLH1

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-1088865-B1 Ink composition and ink jet recording method using the same SEIKO EPSON CORP (JP) 2005-05-11 EP disclosed