SCHEMBL9044799

SCHEMBL9044799

Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3nc4ccccc4s3)cc12

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 15/20 0.82
ALOX5 P09917 5/20 0.82
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 2/20 0.60
PTGS1 P23219 1/20 0.60
PTGS2 P35354 1/20 0.60
CYP2D6 P10635 1/20 0.60
PTGES2 Q9H7Z7 4/20 0.59
PTGES O14684 1/20 0.59

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
SCHEMBL9044573 0.92 ALOX5AP (0.71) ALOX5APALOX5CYP3A4CYP2C9PTGS1
SCHEMBL9045553 0.92 ALOX5AP (0.79) ALOX5APALOX5CYP3A4CYP2C9PTGS1
SCHEMBL9046406 0.91 ALOX5AP (0.78) ALOX5APALOX5CYP3A4CYP2C9PTGS1
SCHEMBL2108478 0.84 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9PTGS1
SCHEMBL9584575 0.83 ALOX5AP (0.80) ALOX5APALOX5CYP3A4CYP2C9PTGS1
SCHEMBL9178666 0.83 ALOX5AP (0.76) ALOX5APALOX5CYP3A4CYP2C9PTGS1
SCHEMBL169405 0.82 ALOX5AP (0.84) ALOX5APALOX5CYP3A4CYP2C9PTGS1
SCHEMBL9140363 0.82 ALOX5AP (0.62) ALOX5APALOX5CYP3A4CYP2C9PTGS2
SCHEMBL2106671 0.81 ALOX5AP (0.89) ALOX5APALOX5CYP3A4CYP2C9PTGS1
SCHEMBL3092549 0.81 ALOX5AP (0.82) ALOX5APALOX5CYP3A4CYP2C9CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7215966-A None JP disclosed
EP-0535925-B1 (Bicyclic-hetero-arylmethoxy)indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC (CA) 1996-04-24 EP disclosed
JP-H07215966-A (BICYCLIC-HETERO-ARYLMETHOXY)INDOLE AS INHIBITOR OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC 1995-08-15 JP disclosed
US-5308850-A (Bicyclic-hetero-arylmethoxy)indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1994-05-03 US disclosed
EP-0535925-A1 (Bicyclic-hetero-arylmethoxy)indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1993-04-07 EP disclosed