SCHEMBL9302868

SCHEMBL9302868

O=C(O)c1cc2cc(OCc3cccc(C4CC(O)CCO4)c3)ccc2c(-c2ccc(F)cc2)c1CO

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.42
MRGPRX4 Q96LA9 1/20 0.38
ANO1 Q5XXA6 4/20 0.37
SLC16A3 O15427 1/20 0.36
P2RY14 Q15391 1/20 0.36
FFAR1 O14842 1/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL9302999 0.94 ALOX5 (0.42) ALOX5P2RY14FFAR1
SCHEMBL9303431 0.93 ALOX5 (0.42) ALOX5MRGPRX4ANO1P2RY14
SCHEMBL9305306 0.92 ALOX5 (0.40) ALOX5MRGPRX4ANO1SLC16A3P2RY14
SCHEMBL9304122 0.89 ALOX5 (0.43) ALOX5P2RY14FFAR1
SCHEMBL9267794 0.89 ALOX5 (0.42) ALOX5MRGPRX4P2RY14
SCHEMBL9265197 0.89 ALOX5 (0.42) ALOX5P2RY14
SCHEMBL9304055 0.88 ALOX5 (0.43) ALOX5MRGPRX4ANO1P2RY14FFAR1
SCHEMBL9271846 0.88 ALOX5 (0.44) ALOX5MRGPRX4P2RY14
SCHEMBL9593897 0.87 ALOX5 (0.42) ALOX5MRGPRX4SLC16A3P2RY14
SCHEMBL9303146 0.86 ALOX5 (0.42) ALOX5P2RY14FFAR1

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