SCHEMBL8558799

SCHEMBL8558799

CC(C)(Cc1cc2cc(OCc3ccc4sccc4n3)ccc2n1Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 19/20 0.63
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX5 P09917 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL2109026 0.86 ALOX5AP (0.77) ALOX5APPTGS1PTGS2CYP3A4ALOX5
SCHEMBL8563515 0.84 ALOX5AP (0.59) ALOX5APPTGS1PTGS2CYP3A4ALOX5
SCHEMBL8561867 0.84 ALOX5AP (0.58) ALOX5APPTGS1PTGS2CYP3A4ALOX5
SCHEMBL9291745 0.84 ALOX5AP (0.65) ALOX5APPTGS1PTGS2CYP3A4ALOX5
SCHEMBL8562441 0.83 PTGS1 (0.66) ALOX5APPTGS1PTGS2CYP3A4ALOX5
SCHEMBL9212735 0.78 ALOX5AP (0.65) ALOX5APPTGS1PTGS2CYP3A4ALOX5
SCHEMBL168681 0.77 ALOX5AP (1.00) ALOX5APCYP3A4ALOX5CYP2D6CYP2C9
SCHEMBL9257684 0.77 ALOX5AP (0.68) ALOX5APPTGS1PTGS2CYP3A4ALOX5
SCHEMBL167205 0.77 ALOX5AP (0.79) ALOX5APCYP3A4ALOX5CYP2D6CYP2C9
SCHEMBL8561791 0.77 ALOX5AP (0.49) ALOX5APPTGS1PTGS2CYP3A4ALOX5

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