SCHEMBL13638728

SCHEMBL13638728

Nc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3[nH]c(COCCO)nc3Br)c2F)c1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.33

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
SCHEMBL13982445 0.91 PTGES (0.33) PTGES
SCHEMBL13982117 0.91 PTGES (0.33) PTGES
SCHEMBL13982371 0.90 PTGES (0.36) PTGES
SCHEMBL13638742 0.89 PTGES (0.33) PTGES
SCHEMBL3640958 0.89 CYP3A4 (0.43) PTGES
SCHEMBL13638729 0.89 EPAS1 (0.33) PTGES
SCHEMBL13982374 0.88 PTGES (0.34) PTGES
SCHEMBL13982342 0.86 PTGES (0.34) PTGES
SCHEMBL13638741 0.86 PTGES (0.33) PTGES
SCHEMBL13982119 0.86 PTGES (0.35) PTGES

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
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed