SCHEMBL534416

SCHEMBL534416

CC(C)(C)OC(=O)NC(C(=O)O)c1cccc(CN(Cc2ccc(Br)cc2)S(=O)(=O)c2cccnc2)n1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 20/20 0.57

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
SCHEMBL3459925 0.83 PTGER2 (0.53) PTGER2
SCHEMBL534415 0.81 CTSS (0.36) PTGER2
SCHEMBL534417 0.80 CTSS (0.40) PTGER2
SCHEMBL533796 0.80 PTGER2 (0.56) PTGER2
SCHEMBL3459168 0.79 PTGER2 (0.63) PTGER2
SCHEMBL3459927 0.79 PTGER2 (0.52) PTGER2
SCHEMBL3459283 0.79 PTGER2 (0.59) PTGER2
SCHEMBL3459287 0.78 PTGER2 (0.55) PTGER2
SCHEMBL6519257 0.77 PTGER2 (0.53) PTGER2
SCHEMBL6519261 0.76 PTGER2 (0.52) 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