SCHEMBL9269554

SCHEMBL9269554

O=C(O)c1cc2cc(OCc3cccc(C4CC(O)CCO4)n3)ccc2c(-c2ccsc2)c1CO

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.36
FFAR1 O14842 2/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL9267794 0.87 ALOX5 (0.42) ALOX5
SCHEMBL9264776 0.84 ALOX5 (0.36) ALOX5FFAR1
SCHEMBL9302198 0.79 ALOX5 (0.47) ALOX5
SCHEMBL9261473 0.79 MAOB (0.41)
SCHEMBL9302999 0.78 ALOX5 (0.42) ALOX5FFAR1
SCHEMBL9243994 0.77 P2RY14 (0.38) ALOX5
SCHEMBL9303431 0.76 ALOX5 (0.42) ALOX5
SCHEMBL9302868 0.76 ALOX5 (0.42) ALOX5FFAR1
SCHEMBL9271846 0.76 ALOX5 (0.44) ALOX5
SCHEMBL9159731 0.76 ALOX5 (0.48) ALOX5

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
US-5428060-A Useful as antiasthamatic, antiallergic, antiinflammatory and cytoprotective agent MERCK FROSST CANADA, INC. (CA) 1995-06-27 US disclosed
WO-1994005657-A1 HETEROARYLNAPHTHALENE HYDROXY ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-03-17 WO disclosed
US-5252599-A Antiasthma, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1993-10-12 US disclosed