SCHEMBL28533932

SCHEMBL28533932

CCCCC(C(=O)OO)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GAA P10253 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
SCHEMBL28526062 0.96 ZDHHC7 (0.33) CA1
SCHEMBL28539205 0.94 ZDHHC7 (0.36) CA2
SCHEMBL28909070 0.94 ZDHHC7 (0.36) CA2
SCHEMBL28536653 0.94 ZDHHC7 (0.36) CA2
SCHEMBL28526064 0.94 ZDHHC7 (0.36) CA2
SCHEMBL28729539 0.81 GAA (0.38) GAA
SCHEMBL28375219 0.81 GAA (0.38) GAA
SCHEMBL19137894 0.78 GPR84 (0.42)
SCHEMBL9651979 0.78 GPR84 (0.42)
SCHEMBL15299971 0.78 GPR84 (0.42)

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
CN-112533902-A Compositions comprising nitroxide inhibitors, quinone methide blockers and amine stabilizers to inhibit polymerization of monomers 埃科莱布美国股份有限公司 2021-03-19 CN claimed
CN-112533902-A Compositions comprising nitroxide inhibitors, quinone methide blockers and amine stabilizers to inhibit polymerization of monomers 埃科莱布美国股份有限公司 2021-03-19 CN disclosed