SCHEMBL9740900

SCHEMBL9740900

CCCc1c(O)ccc2c(C)c(Cc3ccc(OC)cc3)oc12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.56
ALOX15 P16050 1/20 0.54
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 2/20 0.42

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
SCHEMBL9739633 0.82 ALOX5 (0.72) ALOX5ALOX15
SCHEMBL9740626 0.79 ALOX5 (0.45) ALOX5ALOX15
SCHEMBL9739958 0.79 ALOX5 (0.71) ALOX5ALOX15
SCHEMBL9739632 0.73 ALOX5 (0.85) ALOX5ALOX15
SCHEMBL10458666 0.73 ALOX5 (0.61) ALOX5ALOX15
SCHEMBL9739631 0.72 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL9739804 0.72 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL9739583 0.71 ALOX5 (0.82) ALOX5ALOX15
SCHEMBL11220015 0.71 ERAP1 (0.60) LMNAMAPTTP53
SCHEMBL9740040 0.71 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 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