SCHEMBL9871766

SCHEMBL9871766

CC(C)CC(CC(C)C)CS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.37
CACNA2D1 P54289 2/20 0.37
CACNB3 P54284 1/20 0.37
CACNA1C Q13936 1/20 0.37
PGR P06401 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
CACNA2D2 Q9NY47 1/20 0.37
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32
GRIA1 P42261 3/20 0.31
ANPEP P15144 3/20 0.31
LAP3 P28838 2/20 0.31
ERAP1 Q9NZ08 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 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
SCHEMBL28360125 0.86 CACNA2D1 (0.50) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL28360126 0.86 CACNA2D1 (0.50) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL15988236 0.79 SLC22A6 (0.37) SLC22A6RNPEPSLC7A5GRIA1ANPEP
SCHEMBL28070675 0.77 SLC22A6 (0.43) SLC22A6GRIA1GABBR2GABBR1
SCHEMBL5374 0.77
SCHEMBL12522477 0.77 SLC22A6 (0.36) SLC22A6RNPEPSLC7A5GRIA1ANPEP
SCHEMBL7053481 0.76 SLC22A6 (0.48) SLC22A6GABBR2GABBR1
SCHEMBL6034381 0.75 ANPEP (0.42) SLC22A6CACNA2D1CACNB3CACNA1CSLC7A5
SCHEMBL27320171 0.75 ANPEP (0.42) SLC22A6CACNA2D1CACNB3CACNA1CSLC7A5
SCHEMBL27422167 0.75 ANPEP (0.42) SLC22A6CACNA2D1CACNB3CACNA1CSLC7A5

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
US-5011848-A Cardiovascular disorders, hypotensive agents GLAXO, S.P.A. (IT) 1991-04-30 US disclosed
US-4801599-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS GLAXO S.P.A. (IT) 1989-01-31 US disclosed