SCHEMBL9740795

SCHEMBL9740795

CCCc1ccc2oc(Cc3ccccc3)c(C)c2c1O

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.73
ALOX15 P16050 1/20 0.49
CNR2 P34972 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
PTPN1 P18031 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9742547 0.89 ALOX5 (0.77) ALOX5ALOX15PTPN1
SCHEMBL9740412 0.86 ALOX5 (0.73) ALOX5ALOX15CNR2GPR55MAPT
SCHEMBL9740691 0.86 ALOX5 (0.70) ALOX5ALOX15ALDH1A1
SCHEMBL9740040 0.84 ALOX5 (1.00) ALOX5ALOX15MTNR1AMTNR1B
SCHEMBL9739329 0.82 ALOX5 (0.55) ALOX5ALOX15CNR2GPR55MTNR1A
SCHEMBL9740342 0.80 ALOX5 (1.00) ALOX5ALOX15CNR2GPR55KDM4E
SCHEMBL9741232 0.76 ALOX5 (0.68) ALOX5ALOX15
SCHEMBL9739471 0.74 ALOX5 (0.82) ALOX5ALOX15
SCHEMBL7114512 0.73 ALOX5 (0.46) ALOX5CNR2GPR55LDHALDHB
SCHEMBL9740982 0.73 NPC1 (0.56) ALOX5PTPN1KDM4EALDH1A1MAPT

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