SCHEMBL6505066

SCHEMBL6505066

CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CC(C)(COCc1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.44
ALOX5 P09917 5/20 0.44
PTGS1 P23219 5/20 0.44
PTGS2 P35354 2/20 0.44
ALOX5AP P20292 1/20 0.44
AR P10275 1/20 0.36

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
SCHEMBL6494606 0.84 PTGES (0.55) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL13844797 0.84 PTGES (0.61) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL8397926 0.75 ALOX5 (0.45) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL6503622 0.75 PTGES (0.49) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL6495185 0.73 ALOX5 (0.51) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL6499123 0.73 ALOX5 (0.50) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL5561554 0.73 PTGS1 (0.39) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL8394771 0.71 ALDH1A1 (0.39) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL6496128 0.71 PTGES (0.61) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL14413899 0.71 PTGES (0.67) PTGESALOX5PTGS1PTGS2ALOX5AP

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
US-6878738-B1 Anti-inflammatory oxo derivatives and hydroxy derivatives of pyrrolizines, and their pharmaceutical use MERCKLE GMBH (DE) 2005-04-12 US disclosed