SCHEMBL6503283

SCHEMBL6503283

COC1c2c(-c3ccccc3)c(-c3occ4ccccc34)c(C(=O)C(=O)O)n2CC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.49
PTGS1 P23219 3/20 0.49
PTGS2 P35354 1/20 0.46

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 0.90 ALOX5 (0.47) ALOX5PTGS1PTGS2
SCHEMBL6505366 0.85 ALOX5 (0.66) ALOX5PTGS1PTGS2
SCHEMBL6496420 0.84 ALOX5 (0.47) ALOX5PTGS1PTGS2
SCHEMBL6494322 0.78 ALOX5 (0.45) ALOX5PTGS1PTGS2
SCHEMBL6495009 0.66 ALOX5 (1.00) ALOX5PTGS1PTGS2
SCHEMBL6503480 0.64 ALOX5 (1.00) ALOX5PTGS1PTGS2
SCHEMBL6502937 0.61 ALOX5 (0.55) ALOX5PTGS1PTGS2
SCHEMBL4585151 0.58 ALOX5 (0.39) ALOX5PTGS1
SCHEMBL11480649 0.56 PPARG (0.53)
SCHEMBL11472996 0.55 PPARG (0.62)

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