SCHEMBL6506451

SCHEMBL6506451

CC1(C)Cn2c(C(=O)O)c(-c3ccc(Cl)cc3)c(-c3ccccc3)c2C1Br

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.53
PTGS1 P23219 5/20 0.53
PTGS2 P35354 3/20 0.50
PTGES O14684 7/20 0.43
ALOX5AP P20292 1/20 0.43
GRIA4 P48058 2/20 0.34
GRIA2 P42262 1/20 0.34
MGLL Q99685 1/20 0.33

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
SCHEMBL6503718 0.87 ALOX5 (0.53) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6499123 0.85 ALOX5 (0.50) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6495841 0.84 ALOX5 (0.74) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6505084 0.83 ALOX5 (0.76) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6622141 0.81 ALOX5 (0.52) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6505812 0.76 ALOX5 (0.72) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6495185 0.73 ALOX5 (0.51) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6494870 0.71 ALOX5 (0.70) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6498829 0.70 ALOX5 (0.77) ALOX5PTGS1PTGS2PTGESALOX5AP
SCHEMBL6502937 0.70 ALOX5 (0.55) 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