SCHEMBL9740691

SCHEMBL9740691

CCCc1ccc2oc(Cc3ccncc3)c(C)c2c1O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.70
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRKCI P41743 1/20 0.33

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
SCHEMBL9740795 0.86 ALOX5 (0.73) ALOX5ALOX15ALDH1A1
SCHEMBL9742547 0.86 ALOX5 (0.77) ALOX5ALOX15
SCHEMBL9740412 0.84 ALOX5 (0.73) ALOX5ALOX15LMNA
SCHEMBL9740040 0.82 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL9740108 0.74 ALOX5 (0.43) ALOX5ALDH1A1LMNAHPGDHTT
SCHEMBL9741232 0.74 ALOX5 (0.68) ALOX5ALOX15
SCHEMBL9739471 0.72 ALOX5 (0.82) ALOX5ALOX15
SCHEMBL9740447 0.69 ALOX5 (0.54) ALOX5ALOX15
SCHEMBL9739329 0.69 ALOX5 (0.55) ALOX5ALOX15ALDH1A1LMNAHTT
SCHEMBL9740774 0.68 ALOX5 (0.74) 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 5 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
EP-0165810-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES, THEIR USE IN INHIBITING MAMMALIAN LEUKOTRIENE BIOSYNTHESIS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES MERCK FROSST CANADA INC. (CA) 1989-08-23 EP disclosed
EP-0165810-A2 Benzofuran and benzothiophene derivatives, their use in inhibiting mammalian leukotriene biosynthesis, and pharmaceutical compositions containing these derivatives MERCK FROSST CANADA INC. (CA) 1985-12-27 EP disclosed