SCHEMBL7072409

SCHEMBL7072409

C=CCNC1CC(C)(C)N([O])C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
MAOB P27338 2/20 0.32
POLB P06746 1/20 0.31
HTR1A P08908 1/20 0.30
IDO1 P14902 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL22368528 0.83 GAA (0.35) GAAOPRM1OPRD1OPRK1
SCHEMBL7072412 0.81 GAA (0.37) GAAPOLBOPRM1OPRD1OPRK1
SCHEMBL22368529 0.79 GAA (0.33) GAA
SCHEMBL7634030 0.76 MAOB (0.35) CA1CA2CA9MAOB
SCHEMBL16167406 0.75 MAOB (0.36) GAACA1CA2CA9MAOB
SCHEMBL736625 0.73 GAA (0.58) GAAPOLB
SCHEMBL7044874 0.69 S1PR4 (0.43)
SCHEMBL6754520 0.69 MAOB (0.39) GAACA1CA2CA9MAOB
SCHEMBL1312735 0.69 CA1 (0.36) GAACA1CA2CA9MAOB
SCHEMBL6827228 0.68 ADH1B (0.42) CA1CA2CA9MAOB

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-6660181-B2 Inhibiting the premature polymerization of ethylenically unsaturated monomers by adding mixture comprising a first inhibitor comprising 4-amino-2,2,6,6-tetramethylpiperidinyloxy and other inhibitor CROMPTON CORPORATION 2003-12-09 US disclosed
US-20030080318-A1 Inhibition of polymerization of unsaturated monomers ADDIVANT USA, LLC 2003-05-01 US disclosed