SCHEMBL9740342

SCHEMBL9740342

CCCc1cc(Cl)c2oc(Cc3ccccc3)c(C)c2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 1.00
ALOX15 P16050 1/20 0.76
CNR2 P34972 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL9739648 0.91 ALOX5 (0.87) ALOX5ALOX15
SCHEMBL9740324 0.91 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL9740417 0.88 ALOX5 (0.83) ALOX5ALOX15CNR2GPR55
SCHEMBL10603436 0.88 ALOX5 (0.78) ALOX5ALOX15ALDH1A1HPGDHSD17B10
SCHEMBL30095994 0.86 ALOX5 (1.00) ALOX5ALOX15ALDH1A1
SCHEMBL6009815 0.86 ALOX5 (1.00) ALOX5ALOX15ALDH1A1
SCHEMBL9739591 0.83 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL9739801 0.81 ALOX5 (0.67) ALOX5ALOX15KDM4EALDH1A1
SCHEMBL9740795 0.80 ALOX5 (0.73) ALOX5ALOX15CNR2GPR55KDM4E
SCHEMBL9741972 0.77 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