SCHEMBL8526016

SCHEMBL8526016

C=C(C)C(=O)OCCOC#COOC(C)(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 2/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
ELANE P08246 1/20 0.32
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL8525636 0.83 THRB (0.47) MAPK1HTTTHRBALDH1A1ALOX15
SCHEMBL8524784 0.82 MAPK1 (0.44) MAPK1TDP1ALDH1A1ALOX15TSHR
SCHEMBL8524480 0.80 THRB (0.45) POLBAPEX1HTTTDP1THRB
SCHEMBL7691679 0.75 MAPK1 (0.41) MAPK1POLBAPEX1HTTTDP1
SCHEMBL19012586 0.73 THRB (0.44) POLBAPEX1HTTTDP1THRB
SCHEMBL16016805 0.72 MAPK1 (0.53) MAPK1HTTTDP1ALDH1A1ALOX15
SCHEMBL115658 0.72 KIF11 (0.46) POLBAPEX1HTTTDP1THRB
SCHEMBL8850852 0.71 HIF1A (0.49) MAPK1POLBAPEX1HTTTDP1
SCHEMBL27861873 0.71 MAPK1 (0.57) MAPK1TDP1ALDH1A1ALOX15TSHR
Phthalic Acid SCHEMBL4599263 0.71 TDP1 (0.51) POLBAPEX1HTTTDP1THRB

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-0906937-A1 Graft copolymer obtained by free-radical polymerisation with stable free-radicals, its preparation and uses ELF ATOCHEM S.A. (FR) 1999-04-07 EP disclosed