SCHEMBL18214537

SCHEMBL18214537

CCc1cc(F)ccc1Oc1cc2c(cc1NS(C)(=O)=O)CCC2=O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.78
PTGS1 P23219 3/20 0.54

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
Flosulide SCHEMBL29383035 0.88 PTGS2 (1.00) PTGS2PTGS1
Flosulide SCHEMBL195509 0.88 PTGS2 (1.00) PTGS2PTGS1
Flosulide SCHEMBL29454969 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL11182826 0.83 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL11177588 0.82 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL14462977 0.82 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL8624448 0.81 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL14280458 0.81 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL3247329 0.77 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8623711 0.76 PTGS2 (0.75) PTGS2PTGS1

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-2016177776-A1 BIOMARKERS FOR THE DETECTION OF ASPIRIN INSENSITIVITY ACADEMISCH MEDISCH CENTRUM (NL) 2016-11-10 WO disclosed