SCHEMBL533743

SCHEMBL533743

CC(=O)ON(C(=O)OC(C)(C)CC(C)(C)C)c1cccc(C(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)S(=O)(=O)c2ccccn2)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL534126 0.82 AAK1 (0.34) CA1CA2CA9KEAP1NFE2L2
SCHEMBL534465 0.80 USP30 (0.34) CA1CA2CA9KEAP1NFE2L2
SCHEMBL533417 0.68 PTGER2 (0.35)
SCHEMBL534306 0.66 PTGER2 (0.33)
SCHEMBL3458633 0.65 PTGER2 (0.34)
SCHEMBL13571379 0.65 PTGER2 (0.41)
SCHEMBL534184 0.64 PPARA (0.34)
SCHEMBL533408 0.64 ADRB2 (0.34)
SCHEMBL534124 0.63 HDAC3 (0.34) CA1CA2CA9KEAP1NFE2L2
SCHEMBL534463 0.63 USP30 (0.36) CA1CA2CA9

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-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed