SCHEMBL6497004

SCHEMBL6497004

CC1(C)Cn2c(CC(=O)O)c(-c3ccc(Cl)cc3)c(-c3ccccc3)c2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 1.00
PTGS1 P23219 6/20 1.00
PTGS2 P35354 2/20 1.00
PTGES O14684 2/20 0.64
ALOX5AP P20292 1/20 0.64

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
SCHEMBL6505812 0.82 ALOX5 (0.72) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6494104 0.81 ALOX5 (1.00) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6206054 0.79 ALOX5 (0.69) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6496569 0.79 ALOX5 (0.66) ALOX5PTGS1PTGS2PTGESALOX5AP
Licofelone SCHEMBL237833 0.78 ALOX5 (1.00) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6505084 0.78 ALOX5 (0.76) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6494193 0.78 ALOX5 (0.72) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6626514 0.77 ALOX5 (0.64) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6498829 0.76 ALOX5 (0.77) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL5554568 0.76 PTGES (0.78) ALOX5PTGS1PTGS2PTGESALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103172634-A Method for preparing 6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizinone-5-acetic acid-4'-bromo-butyl ester TIANJIN INST PHARM RESEARCH 2013-06-26 CN 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
WO-2001005792-A9 ANTI-INFLAMMATORY OXO DERIVATIVES AND HYDROXY DERIVATIVES OF PYRROLIZINES, AND THEIR PHARMACEUTICAL USE MERCKLE GMBH (DE) 2002-08-29 WO disclosed