SCHEMBL8562441

SCHEMBL8562441

CC(C)(C)C(=O)c1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4sccc4n3)cc12

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.66
PTGS2 P35354 1/20 0.66
ALOX5AP P20292 19/20 0.64
ALOX5 P09917 6/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60

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
SCHEMBL9291745 0.89 ALOX5AP (0.65) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL2108321 0.87 PTGS1 (0.85) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL9252681 0.87 PTGS1 (0.84) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL9252706 0.87 PTGS1 (0.84) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL9291967 0.85 PTGS1 (0.66) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL8561872 0.85 ALOX5AP (0.60) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL8558799 0.83 ALOX5AP (0.63) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL9046406 0.83 ALOX5AP (0.78) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL2107929 0.82 PTGS1 (0.82) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL2107877 0.81 PTGS1 (0.86) PTGS1PTGS2ALOX5APALOX5CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691972-B1 FURO 3,2-b]PYRIDINES AND THIENO 3,2-b]PYRIDINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 1998-07-01 EP disclosed
US-5374635-A Antiinflammatory agents, lipoxygenase inhibitor, antiallergens , cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1994-12-20 US disclosed