SCHEMBL8525636

SCHEMBL8525636

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 8/20 0.36
TSHR P16473 6/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.34
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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 0.83 MAPK1 (0.38) THRBMAPK1ALDH1A1TSHRHIF1A
SCHEMBL8526037 0.82 MAPK1 (0.44) THRBMAPK1ALDH1A1TSHRHIF1A
SCHEMBL8526431 0.80 TSHR (0.46) THRBMAPK1ALDH1A1TSHRTP53
SCHEMBL10437472 0.79 THRB (0.56) THRBMAPK1ALDH1A1TSHRTP53
SCHEMBL8883023 0.72 MAPK1 (0.53) THRBMAPK1ALDH1A1TSHRHIF1A
SCHEMBL1724042 0.71 THRB (0.49) THRBMAPK1ALDH1A1TSHRTP53
SCHEMBL30510189 0.70 THRB (0.52) THRBMAPK1ALDH1A1TSHRTP53
SCHEMBL17320925 0.70 THRB (0.59) THRBMAPK1ALDH1A1TSHRTP53
SCHEMBL8525638 0.70 HCAR2 (0.37) THRBMAPK1ALDH1A1TSHRTP53
SCHEMBL13704977 0.70 THRB (0.44) THRBMAPK1ALDH1A1TSHRTP53

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