SCHEMBL9304055

SCHEMBL9304055

COc1cccc(-c2c(CO)c(C(=O)O)cc3cc(OCc4cccc(C5CC(O)CCO5)c4)ccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.43
FFAR1 O14842 4/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
MMP1 P03956 1/20 0.37
ADAM17 P78536 1/20 0.37
PPARD Q03181 3/20 0.37
PPARA Q07869 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
P2RY14 Q15391 1/20 0.37
VDR P11473 1/20 0.36
GPR35 Q9HC97 1/20 0.36
PTGER4 P35408 1/20 0.36

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 0.93 ALOX5 (0.42) ALOX5FFAR1P2RY14
SCHEMBL9303431 0.88 ALOX5 (0.42) ALOX5MRGPRX4ANO1P2RY14
SCHEMBL9302868 0.88 ALOX5 (0.42) ALOX5FFAR1MRGPRX4PPARDANO1
SCHEMBL9271846 0.88 ALOX5 (0.44) ALOX5MRGPRX4P2RY14
SCHEMBL9267794 0.88 ALOX5 (0.42) ALOX5MRGPRX4P2RY14
SCHEMBL9265197 0.88 ALOX5 (0.42) ALOX5P2RY14
SCHEMBL9304199 0.87 ALOX5 (0.43) ALOX5FFAR1P2RY14
SCHEMBL9302471 0.87 ALOX5 (0.43) ALOX5FFAR1P2RY14
SCHEMBL9593897 0.87 ALOX5 (0.42) ALOX5MRGPRX4P2RY14
SCHEMBL9303146 0.87 ALOX5 (0.42) ALOX5FFAR1P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0501579-A1 Naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP claimed
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
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