SCHEMBL6494606

SCHEMBL6494606

CCOC(=O)Cc1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CC(C)(COCc1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.55
ALOX5 P09917 4/20 0.55
PTGS1 P23219 4/20 0.55
PTGS2 P35354 2/20 0.55
ALOX5AP P20292 1/20 0.55

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
SCHEMBL6496128 0.87 PTGES (0.61) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL6505066 0.84 PTGES (0.44) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL3984072 0.84 PTGES (0.77) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL6503465 0.79 PTGES (0.64) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL18782717 0.78 PTGES (0.78) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL18782759 0.77 PTGES (0.74) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL18782715 0.76 PTGES (0.69) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL5554568 0.76 PTGES (0.78) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL6495216 0.75 PTGES (0.62) PTGESALOX5PTGS1PTGS2ALOX5AP
SCHEMBL18782719 0.75 PTGES (0.74) 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