SCHEMBL9212420

SCHEMBL9212420

COC(=O)C(C)(C)Cc1c(C(C)(C)C)c2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 18/20 0.73
PTGS1 P23219 1/20 0.73
PTGS2 P35354 1/20 0.73
ALOX5 P09917 5/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68

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
SCHEMBL2108514 0.92 ALOX5AP (0.85) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL8559592 0.90 ALOX5AP (0.72) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL9389826 0.90 ALOX5AP (0.81) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL8559127 0.90 PTGS1 (0.75) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL9185735 0.89 ALOX5AP (0.86) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL9212757 0.88 ALOX5AP (0.75) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL3504642 0.86 ALOX5AP (0.82) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL2109184 0.86 ALOX5AP (0.82) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL9393641 0.86 ALOX5AP (0.82) ALOX5APPTGS1PTGS2ALOX5CYP3A4
SCHEMBL2108390 0.84 ALOX5AP (0.80) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419049-B1 (Quinolin-2-ylmethoxy) indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA INC (CA) 1995-04-12 EP disclosed
US-5380850-A Quinoline hydrazine intermediates MERCK FROSST CANADA, INC. (CA) 1995-01-10 US disclosed
US-5272145-A (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-12-21 US disclosed
US-5204344-A (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed