Isoprothiolane

Isoprothiolane

SCHEMBL8408577

CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1.CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1

nearest known ligand 0.60

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.60
PDE4D Q08499 1/20 0.60
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA7 P43166 3/20 0.31
CA9 Q16790 3/20 0.31
CA14 Q9ULX7 3/20 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
Isoprothiolane SCHEMBL71267 1.00 ADRA1A (0.60) ADRA1APDE4DTSHRLMNANPC1
Isoprothiolane SCHEMBL5613732 0.96 ADRA1A (0.56) ADRA1APDE4DTSHRLMNANPC1
SCHEMBL11676374 0.92 ADRA1A (0.56) ADRA1APDE4DTSHRLMNASMN1; SMN2
SCHEMBL11678429 0.92 ADRA1A (0.56) ADRA1APDE4DTSHRSMN1; SMN2GAA
SCHEMBL9521449 0.90 ADRA1A (0.50) ADRA1APDE4DTSHRLMNANPC1
SCHEMBL11616325 0.88 ADRA1A (0.49) ADRA1APDE4DTSHRLMNANPC1
SCHEMBL9521064 0.88 ADRA1A (0.60) ADRA1APDE4DTSHRSMN1; SMN2GAA
SCHEMBL11034587 0.86 ADRA1A (0.46) ADRA1APDE4DLMNANPC1RAB9A
SCHEMBL11614781 0.82 ADRA1A (0.42) ADRA1APDE4DLMNANPC1RAB9A
SCHEMBL9521561 0.79 ADRA1A (0.41) ADRA1APDE4DLMNANPC1RAB9A

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-5863909-A CONSISTS OF SORBITAN/FATTY ACID ESTER SURFACTANT AND OTHER SURFACTANT SELECTED FROM RESIN ACID AND ANIONIC OLIGOMER OR POLYMER TYPE QUATERNARY AMMONIUM SALTS KAO CORPORATION (JP) 1999-01-26 US disclosed