SCHEMBL6505736

SCHEMBL6505736

CCOC(=O)C(=O)c1c(-c2occ3ccccc23)c(-c2ccccc2)c2n1CC(C)(C)C2

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.66
PTGS1 P23219 4/20 0.66
PTGES O14684 3/20 0.43
ALOX5AP P20292 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6496842 0.81 ALOX5 (0.47) ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL6505733 0.80 PTGES (0.45) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL13844797 0.80 PTGES (0.61) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL6503283 0.69 ALOX5 (0.49) ALOX5PTGS1PTGS2
SCHEMBL14413899 0.66 PTGES (0.67) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL8397926 0.66 ALOX5 (0.45) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL9535514 0.64 ALOX5 (0.46) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL9458992 0.64 ALOX5 (0.86) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL6505366 0.64 ALOX5 (0.66) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL9535920 0.64 ALOX5 (0.47) ALOX5PTGS1PTGESALOX5APPTGS2

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