SCHEMBL9301872

SCHEMBL9301872

O=C1OCc2c1cc1cc(O)ccc1c2-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.56
ESRRB O95718 1/20 0.50
ESRRA P11474 1/20 0.50
TOP2A P11388 1/20 0.45

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
SCHEMBL38656885 0.88 ALOX5 (0.72) ALOX5
SCHEMBL9302851 0.88 ALOX5 (0.72) ALOX5
SCHEMBL9125611 0.88 ALOX5 (0.56) ALOX5TOP2A
SCHEMBL7659535 0.82 ALOX5 (0.62) ALOX5ESRRBESRRATOP2A
SCHEMBL38657443 0.73 ALOX5 (0.69) ALOX5
SCHEMBL16272594 0.73 ALOX5 (1.00) ALOX5TOP2A
SCHEMBL7656932 0.70 ALOX5 (0.54) ALOX5TOP2A
SCHEMBL8081262 0.69 ALOX5 (0.62) ALOX5TOP2A
SCHEMBL9277584 0.68 HSD17B3 (0.43) ALOX5
SCHEMBL29582148 0.68 ALOX5 (1.00) ALOX5TOP2A

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