SCHEMBL8524480

SCHEMBL8524480

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL8526016 0.80 MAPK1 (0.38) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15300605 0.76 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL1644791 0.74 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13752249 0.73 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15636 0.73 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL6142874 0.73 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL164046 0.72 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5008758 0.72 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL955493 0.71 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL632736 0.71 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1

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