SCHEMBL9740305

SCHEMBL9740305

COc1ccc(CCc2oc3cccc(O)c3c2C)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.78
HTR2B P41595 4/20 0.55
HTR2C P28335 3/20 0.55
ALOX15 P16050 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
CALM1 P0DP23 2/20 0.42
IGF1R P08069 1/20 0.41

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
SCHEMBL9740770 0.88 ALOX5 (1.00) ALOX5HTR2BHTR2CALOX15RAB9A
SCHEMBL9739730 0.80 ALOX5 (0.52) ALOX5HTR2BHTR2CRAB9AKDM4E
SCHEMBL9739471 0.78 ALOX5 (0.82) ALOX5ALOX15CALM1
SCHEMBL9740821 0.77 ALOX5 (0.48) ALOX5HTR2BHTR2CALOX15ALDH1A1
SCHEMBL9741128 0.75 ALOX5 (0.60) ALOX5ALOX15ALDH1A1CALM1
SCHEMBL29256757 0.73 CALM1 (0.55) ALOX5HTR2BHTR2CALOX15RAB9A
SCHEMBL10744144 0.73 ALOX5 (0.57) ALOX5HTR2BHTR2CRAB9ANPC1
SCHEMBL9740454 0.73 ALOX5 (0.57) ALOX5HTR2BHTR2CRAB9ANPC1
SCHEMBL10739689 0.71 MAPT (0.50) ALOX5HTR2BHTR2CALOX15RAB9A
SCHEMBL9739868 0.70 ALOX5 (0.84) ALOX5ALOX15ALDH1A1

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