SCHEMBL5140689

SCHEMBL5140689

CC(C)(C)OC(=O)NCCCOS(=O)(=O)c1ccc(Cl)cc1.NCCCO

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.53
CA2 P00918 10/20 0.53
CA12 O43570 5/20 0.53
CA9 Q16790 5/20 0.53
DRD2 P14416 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
IDO1 P14902 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL1619490 0.91 CA1 (0.58) CA1CA2CA12CA9DRD2
SCHEMBL487585 0.81 CA1 (0.59) CA1CA2CA12CA9TDP1
SCHEMBL14740749 0.80 CA1 (0.57) CA1CA2CA12CA9DRD2
SCHEMBL2822013 0.78 CA1 (0.60) CA1CA2CA12CA9TDP1
SCHEMBL27138446 0.77 CA1 (0.55) CA1CA2CA12CA9TDP1
SCHEMBL23835564 0.77 CA1 (0.61) CA1CA2CA12CA9TDP1
SCHEMBL29040473 0.77 CA1 (0.61) CA1CA2CA12CA9TDP1
SCHEMBL29040417 0.77 CA1 (0.61) CA1CA2CA12CA9TDP1
SCHEMBL29040410 0.77 CA1 (0.61) CA1CA2CA12CA9TDP1
SCHEMBL4640090 0.77 CA1 (0.61) CA1CA2CA12CA9TDP1

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
EP-1896402-A1 PROCESS FOR THE PRODUCTION OF (ALKOXYCARBONYLAMINO)ALKYL SULFONATES AstraZeneca AB (SE) 2008-03-12 EP disclosed
WO-2006137774-A1 PROCESS FOR THE PRODUCTION OF (ALKOXYCARBONYLAMINO)ALKYL SULFONATES ASTRAZENECA AB (SE) 2006-12-28 WO disclosed