SCHEMBL5555192

SCHEMBL5555192

COc1ccc(-c2c(-c3ccc(Cl)cc3)c(CC(=O)O)n3c2CC(C)(C)C3)cc1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.80
ALOX5 P09917 3/20 0.80
PTGS1 P23219 3/20 0.80
ALOX5AP P20292 1/20 0.80
PTGS2 P35354 1/20 0.80

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
Licofelone SCHEMBL237833 0.89 ALOX5 (1.00) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL5560426 0.88 PTGES (0.85) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL19499839 0.88 PTGES (0.85) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL6495216 0.88 PTGES (0.62) PTGESALOX5PTGS1ALOX5APPTGS2
Licofelone SCHEMBL7737421 0.85 PTGES (0.88) PTGESALOX5PTGS1ALOX5APPTGS2
Licofelone SCHEMBL1843506 0.85 PTGES (0.92) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL4086803 0.83 PTGES (0.80) PTGESALOX5PTGS1ALOX5APPTGS2
Licofelone SCHEMBL7738810 0.83 PTGES (0.83) PTGESALOX5PTGS1ALOX5APPTGS2
Licofelone SCHEMBL1394262 0.82 PTGES (0.84) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL9458992 0.81 ALOX5 (0.86) PTGESALOX5PTGS1ALOX5APPTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1398315-B1 Anti-inflammatory oxo-derivatives and hydroxy derivatives of pyrrolizines, and their pharmaceutical use MERCKLE GMBH (DE) 2007-08-08 EP disclosed
US-6878738-B1 Anti-inflammatory oxo derivatives and hydroxy derivatives of pyrrolizines, and their pharmaceutical use MERCKLE GMBH (DE) 2005-04-12 US disclosed
EP-1398315-A1 Anti-inflammatory oxo-derivatives and hydroxy derivatives of pyrrolizines, and their pharmaceutical use MERCKLE GMBH (DE) 2004-03-17 EP disclosed