SCHEMBL8564633

SCHEMBL8564633

CC(C)(C)Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4sc(Cl)c(Cl)c4n3)cc12

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 18/20 0.60
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
ALOX5 P09917 6/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2D6 P10635 1/20 0.56

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
SCHEMBL8565542 0.88 ALOX5AP (0.60) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL9291745 0.86 ALOX5AP (0.65) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL9048306 0.84 ALOX5AP (0.84) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL8565809 0.82 ALOX5AP (0.65) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL9045553 0.81 ALOX5AP (0.79) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL9291636 0.79 ALOX5AP (0.61) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL2107903 0.77 ALOX5AP (0.81) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL2108396 0.77 ALOX5AP (0.83) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL2106671 0.77 ALOX5AP (0.89) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL8559592 0.77 ALOX5AP (0.72) ALOX5APPTGS1PTGS2ALOX5CYP3A4

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