SCHEMBL9746348

SCHEMBL9746348

C=C(C(=O)OC(C)C)C(Cl)C(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ADRA1A P35348 1/20 0.34
PDE4D Q08499 1/20 0.34
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9747131 0.82 TSHR (0.40) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL9746807 0.77 ALDH1A1 (0.44)
SCHEMBL6109384 0.77 TSHR (0.43) TSHRADRA1APDE4DCA12CA1
SCHEMBL9746137 0.75 ADRA1A (0.36) TSHRADRA1APDE4D
SCHEMBL5081341 0.75 TSHR (0.42) TSHRADRA1APDE4DCA12CA1
SCHEMBL10705663 0.73 TSHR (0.40) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL9746775 0.73 TSHR (0.40) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL9746821 0.73 TSHR (0.40) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL9744993 0.72 CASP1 (0.45) TSHRGAASMN1; SMN2
SCHEMBL6151271 0.72

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