SCHEMBL6180126

SCHEMBL6180126

COc1ccc(-c2noc(CCC(=O)O)c2-c2ccc(S(N)(=O)=O)cc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.49
PTGS1 P23219 1/20 0.49
PDE3A Q14432 1/20 0.49
FFAR4 Q5NUL3 1/20 0.42
FFAR1 O14842 1/20 0.40

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
SCHEMBL4888033 0.83 PTGS2 (0.53) PTGS2PTGS1PDE3A
SCHEMBL6180122 0.81 APP (0.45) PTGS2PTGS1PDE3A
SCHEMBL1568089 0.78 PTGS2 (0.45) PTGS2PTGS1PDE3AFFAR4FFAR1
SCHEMBL1566913 0.78 FFAR4 (0.45) PTGS2PTGS1PDE3AFFAR4FFAR1
SCHEMBL4884126 0.77 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL9124507 0.77 PTGS2 (0.76) PTGS2PTGS1PDE3A
SCHEMBL8474571 0.75 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6315660 0.74 PTGS2 (0.55) PTGS2PTGS1PDE3A
SCHEMBL8475019 0.72 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL6309912 0.71 PTGS2 (0.47) 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
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP disclosed