SCHEMBL6505812

SCHEMBL6505812

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

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.72
PTGS1 P23219 5/20 0.72
PTGS2 P35354 3/20 0.70
PTGES O14684 7/20 0.45
ALOX5AP P20292 1/20 0.45
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 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
SCHEMBL6496569 0.89 ALOX5 (0.66) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6494104 0.84 ALOX5 (1.00) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6497004 0.82 ALOX5 (1.00) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6494193 0.81 ALOX5 (0.72) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6626514 0.80 ALOX5 (0.64) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6506451 0.76 ALOX5 (0.53) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6503718 0.75 ALOX5 (0.53) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6503323 0.73 PTGS1 (0.62) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6495841 0.72 ALOX5 (0.74) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6476339 0.69 PTGES (0.65) 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 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