SCHEMBL9301873

SCHEMBL9301873

O=C1OC(=O)c2c1cc1cc(OCc3ccccc3)ccc1c2-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.68
P2RY14 Q15391 1/20 0.54
MAOB P27338 4/20 0.52
GSTP1 P09211 1/20 0.47
MAOA P21397 1/20 0.46

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
SCHEMBL1270411 0.75 ALOX5 (0.56) ALOX5MAOB
SCHEMBL30817881 0.75 ALOX5 (0.56) ALOX5MAOB
SCHEMBL316203 0.74 MAOB (0.69) ALOX5MAOBGSTP1MAOA
SCHEMBL9301998 0.74 P2RY14 (0.61) ALOX5P2RY14MAOB
SCHEMBL9305354 0.73 P2RY14 (0.60) ALOX5P2RY14MAOB
SCHEMBL9724184 0.73 ELANE (0.42) ALOX5MAOBGSTP1MAOA
SCHEMBL9301951 0.72 P2RY14 (0.55) ALOX5P2RY14MAOBGSTP1MAOA
SCHEMBL9303016 0.71 P2RY14 (0.61) ALOX5P2RY14MAOB
SCHEMBL10623137 0.71 ALDH1A1 (0.71) MAOBMAOA
SCHEMBL9303687 0.71 P2RY14 (0.57) ALOX5P2RY14MAOB

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
US-5281720-A Antiasthmatics, antiallergens, antiinflammatory agents and cytoprotective agents MERCK FROSST CANADA, INC. 1994-01-25 US disclosed
US-5227399-A Pyranylphenyl naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1993-07-13 US disclosed
EP-0501579-A1 Naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed
EP-0501578-A1 Pyranylphenyl hydroxyalkylnaphthoic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed