SCHEMBL9745594

SCHEMBL9745594

C=C(C(=O)OC(C)C)C(Br)(Br)Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.39
PDE4D Q08499 1/20 0.39
TSHR P16473 3/20 0.39
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA7 P43166 3/20 0.32
CA9 Q16790 3/20 0.32
CA14 Q9ULX7 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
XPO1 O14980 2/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL9745783 0.86 ADRA1A (0.39) ADRA1APDE4DTSHRGAASMN1; SMN2
SCHEMBL9745980 0.79 ADRA1A (0.35) ADRA1APDE4DTSHRGAASMN1; SMN2
SCHEMBL9747666 0.79 TSHR (0.40) ADRA1APDE4DTSHRGAASMN1; SMN2
SCHEMBL9745639 0.77 TSHR (0.39) ADRA1APDE4DTSHRGAASMN1; SMN2
SCHEMBL1958622 0.77 TSHR (0.39) ADRA1APDE4DTSHRGAASMN1; SMN2
SCHEMBL9746238 0.77 TSHR (0.39) ADRA1APDE4DTSHRGAASMN1; SMN2
SCHEMBL9747242 0.76 TSHR (0.37) ADRA1APDE4DTSHRGAASMN1; SMN2
SCHEMBL9010894 0.73
SCHEMBL9747397 0.73 ALDH1A1 (0.48)
SCHEMBL2709332 0.72 TSHR (0.48) ADRA1APDE4DTSHRGAASMN1; SMN2

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-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed