SCHEMBL9210941

SCHEMBL9210941

CC(C)c1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 18/20 0.83
ALOX5 P09917 4/20 0.77
PTGS1 P23219 1/20 0.77
PTGS2 P35354 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2D6 P10635 1/20 0.77
CYP2C9 P11712 1/20 0.77

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
SCHEMBL9451512 0.92 ALOX5AP (0.80) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2108478 0.91 ALOX5AP (1.00) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2108619 0.90 PTGS1 (0.82) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2110799 0.90 ALOX5AP (0.81) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2108514 0.89 ALOX5AP (0.85) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2108546 0.89 PTGS1 (0.84) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2107877 0.89 PTGS1 (0.86) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL9048306 0.89 ALOX5AP (0.84) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2107740 0.88 PTGS1 (0.85) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2108396 0.88 ALOX5AP (0.83) 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 3 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 claimed
WO-1994013293-A2 (QUINOLIN-2-YLMETHOXY)INDOLES AS INHIBITORS OF THE BIOSYNTHESIS OF LEUKOTRIENES MERCK FROSST CANADA INC. (CA) 1994-06-23 WO claimed
US-5204344-A (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-04-20 US claimed