SCHEMBL8561791

SCHEMBL8561791

COC(=O)C(C)(C)Cc1cc2cc(OCc3ccc4occc4n3)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 18/20 0.49
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
ALOX5 P09917 4/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL8561867 0.92 ALOX5AP (0.58) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL9212735 0.87 ALOX5AP (0.65) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL9403254 0.80 CCR2 (0.53) ALOX5APPTGS2CYP3A4CYP2C9
SCHEMBL2109026 0.79 ALOX5AP (0.77) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL9215086 0.78 ALOX5AP (0.59) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL8561922 0.77 PTGES2 (0.49) ALOX5APPTGS2
SCHEMBL8565809 0.77 ALOX5AP (0.65) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL8558799 0.77 ALOX5AP (0.63) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL9291967 0.76 PTGS1 (0.66) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL23270840 0.73 ALOX5AP (0.54) 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