SCHEMBL8913093

SCHEMBL8913093

C=C(C)C(=O)OCCOC(=S)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
ELANE P08246 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 3/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL436276 0.87 LMNA (0.61) TDP1POLBAPEX1HTTELANE
SCHEMBL17784934 0.83 MAPT (0.54) TDP1POLBAPEX1HTTELANE
Dimethylamine SCHEMBL1021289 0.83 LMNA (0.56) TDP1POLBAPEX1HTTELANE
SCHEMBL16587377 0.81 SMN1; SMN2 (0.46) TDP1POLBAPEX1HTTELANE
SCHEMBL433570 0.81 TDP1 (0.71) TDP1POLBAPEX1HTTELANE
SCHEMBL9472847 0.81 LMNA (0.49) TDP1POLBAPEX1HTTELANE
SCHEMBL435195 0.81 TDP1 (0.66) TDP1POLBAPEX1HTTELANE
Benzene SCHEMBL28145673 0.80 THRB (0.65) TDP1POLBAPEX1HTTELANE
Toluene SCHEMBL28087905 0.80 THRB (0.52) TDP1POLBAPEX1HTTELANE
SCHEMBL9647822 0.79 TDP1 (0.69) TDP1POLBAPEX1HTTELANE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9110827-A None JP disclosed
JP-H09110827-A SULFUR-CONTAINING (METH)ACRYLIC ESTER MITSUBISHI RAYON CO LTD 1997-04-28 JP disclosed