SCHEMBL8563515

SCHEMBL8563515

CC(C)(Cc1cc2cc(OCc3nc4ccsc4s3)ccc2n1Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 19/20 0.59
ALOX5 P09917 6/20 0.54
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL8558799 0.84 ALOX5AP (0.63) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL9291636 0.84 ALOX5AP (0.61) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL8561872 0.83 ALOX5AP (0.60) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2109026 0.78 ALOX5AP (0.77) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL8561867 0.76 ALOX5AP (0.58) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL9044721 0.76 ALOX5AP (0.45) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL9581675 0.75 ALOX5AP (0.54) ALOX5APALOX5PTGS2CYP3A4CYP2C9
SCHEMBL168681 0.74 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL167205 0.73 ALOX5AP (0.79) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL9044799 0.72 ALOX5AP (0.82) ALOX5APALOX5PTGS1PTGS2CYP3A4

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 4 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
EP-0691972-A1 FURO 3,2-b]PYRIDINES AND THIENO 3,2-b]PYRIDINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-01-17 EP disclosed
US-5374635-A Antiinflammatory agents, lipoxygenase inhibitor, antiallergens , cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1994-12-20 US disclosed
WO-1994022869-A1 FURO[3,2-b]PYRIDINES AND THIENO[3,2-b]PYRIDINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-10-13 WO disclosed