SCHEMBL11681998

SCHEMBL11681998

C=C(C)C(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
THRB P10828 1/20 0.44
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 2/20 0.32
HIF1A Q16665 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 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
SCHEMBL11440732 1.00 TSHR (0.47) TSHRTHRBALDH1A1HSD17B10LMNA
SCHEMBL19482493 0.94 THRB (0.44) TSHRTHRBALDH1A1HSD17B10LMNA
SCHEMBL57880 0.93 TSHR (0.52) TSHRTHRBALDH1A1HSD17B10LMNA
SCHEMBL16803285 0.91 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL17698929 0.89 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL29357664 0.87 THRB (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL59115 0.87 THRB (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL8768697 0.85 TSHR (0.45) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL17698931 0.85 TSHR (0.45) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL9139392 0.85 TSHR (0.45) TSHRTHRBALDH1A1TDP1POLB

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
US-4054722-A PHOTOGRAPHY FUJI PHOTO FILM CO., LTD. (JA) 1977-10-18 US disclosed