SCHEMBL9740774

SCHEMBL9740774

CCOCc1ccc2oc(Cc3ccc(OC)cc3)c(C)c2c1O

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.74
ALOX15 P16050 1/20 0.54
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
VKORC1 Q9BQB6 1/20 0.38

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
SCHEMBL9740040 0.85 ALOX5 (1.00) ALOX5ALOX15MTNR1AMTNR1B
SCHEMBL10513840 0.81 ALOX5 (0.71) ALOX5ALOX15MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL9740357 0.81 ALOX5 (0.71) ALOX5ALOX15
SCHEMBL9739471 0.76 ALOX5 (0.82) ALOX5ALOX15
SCHEMBL9739633 0.75 ALOX5 (0.72) ALOX5ALOX15MTNR1AMTNR1B
SCHEMBL9740770 0.75 ALOX5 (1.00) ALOX5ALOX15VKORC1
SCHEMBL9742547 0.75 ALOX5 (0.77) ALOX5ALOX15
SCHEMBL9739761 0.74 ALOX5 (0.59) ALOX5ALOX15MTNR1AMTNR1B
SCHEMBL9739632 0.73 ALOX5 (0.85) ALOX5ALOX15
SCHEMBL9739631 0.72 ALOX5 (1.00) ALOX5ALOX15

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-5087638-A Inhibitors of mammalian leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1992-02-11 US disclosed
EP-0338782-A1 Benzofuran derivatives MERCK FROSST CANADA INC. (CA) 1989-10-25 EP disclosed
US-4863958-A TREATING ALLERGIC CONDITIONS, ASTHMA, CARDIOVASCULAR DISORDERS, AND INFLAMMATION MERCK FROSST CANADA, INC. (CA) 1989-09-05 US disclosed