SCHEMBL28622124

SCHEMBL28622124

C=C(C)C(=O)OCCC(OC(=O)C(=C)C)C(COC(=O)CCC(=O)OCC(OC(=O)c1ccc(C(=O)O)c(C(=O)O)c1)C(CCOC(=O)C(=C)C)OC(=O)C(=C)C)OC(=O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL345987 0.90 POLB (0.36) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL7084792 0.83 POLB (0.41) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL10715846 0.81 POLB (0.45) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL5846246 0.76 PTPN1 (0.48) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL28802738 0.76
SCHEMBL837846 0.76 POLB (0.50) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL29657635 0.75 POLB (0.49) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL33378 0.74 PTPN1 (0.52) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL7126886 0.74 POLB (0.40) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL11228078 0.74 TDP1 (0.54) POLBAPEX1HTTTDP1ALDH1A1

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
CN-108024913-B Curable composition, curable composition for dentistry, and organic-inorganic composite particle for dentistry 德山齿科株式会社 2021-08-10 CN disclosed