SCHEMBL14712784

SCHEMBL14712784

Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(C(C)(C)CO)nc12

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.88

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
SCHEMBL29713334 0.94 PTGES (1.00) PTGES
SCHEMBL15808845 0.94 PTGES (1.00) PTGES
SCHEMBL29713239 0.92 PTGES (1.00) PTGES
SCHEMBL15808921 0.92 PTGES (1.00) PTGES
SCHEMBL15809072 0.92 PTGES (1.00) PTGES
SCHEMBL15808857 0.92 PTGES (1.00) PTGES
Hydrochloric Acid SCHEMBL15809134 0.92 PTGES (0.98) PTGES
SCHEMBL29713315 0.92 PTGES (1.00) PTGES
Hydrochloric Acid SCHEMBL15808981 0.91 PTGES (0.98) PTGES
Hydrochloric Acid SCHEMBL15808919 0.91 PTGES (0.98) 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
WO-2013024898-A1 HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL DRUG 日本新薬株式会社 (JP) 2013-02-21 WO disclosed