SCHEMBL29601357

SCHEMBL29601357

C=CCC(COS(C)(=O)=O)CC(=O)O

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
CACNA2D2 Q9NY47 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
SCHEMBL25410314 0.84 KDM4E (0.36)
SCHEMBL6430077 0.75 ABCC4 (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL13347365 0.75 ABCC4 (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27797254 0.72 KDM4E (0.31)
SCHEMBL27438804 0.71 GPR84 (0.49)
SCHEMBL8529276 0.71 SLC22A6 (0.48)
SCHEMBL6157808 0.71 SLC22A6 (0.48)
SCHEMBL9328721 0.71 SLC22A6 (0.48)
SCHEMBL19285469 0.71 CA1 (0.40)
SCHEMBL23671019 0.71 CA1 (0.40)

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
EP-4004004-A1 ARGINASE INHIBITORS AND METHODS OF USE THEREOF AstraZeneca AB (SE) 2022-06-01 EP disclosed