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SCHEMBL533742

SCHEMBL533742

CC(C)(C)OC(=O)CN(C(=O)OC(C)(C)C)c1cccc(CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)S(=O)(=O)c2ccccn2)n1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 19/20 0.48

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
SCHEMBL534125 0.96 PTGER2 (0.51) PTGER2
SCHEMBL534464 0.86 PTGER2 (0.48) PTGER2
SCHEMBL535046 0.84 PTGER2 (0.62) PTGER2
SCHEMBL17472673 0.83 PTGER2 (0.55) PTGER2
SCHEMBL13571623 0.83 PTGER2 (0.55) PTGER2
SCHEMBL12981022 0.83 PTGER2 (0.67) PTGER2
SCHEMBL533681 0.83 PTGER2 (0.55) PTGER2
SCHEMBL533416 0.83 PTGER2 (0.56) PTGER2
SCHEMBL12981388 0.83 PTGER2 (0.55) PTGER2
SCHEMBL10316586 0.82 PTGER2 (0.56) PTGER2

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