SCHEMBL9739971

SCHEMBL9739971

CCCc1cc(Cl)c(O)c2c(C)c(C(=O)c3ccc(OC)cc3)oc12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 0.54
ALOX15 P16050 1/20 0.54
SLC22A12 Q96S37 3/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9740227 0.92 ALOX5 (0.65) ALOX5ALOX15SLC22A12MAPTRAB9A
SCHEMBL9739430 0.90 ALOX5 (0.53) ALOX5ALOX15SLC22A12MAPTRAB9A
SCHEMBL9739558 0.86 ALOX5 (0.56) ALOX5ALOX15SLC22A12MAPTRAB9A
SCHEMBL9741193 0.80 ALOX5 (0.61) ALOX5ALOX15SLC22A12MAPTRAB9A
SCHEMBL9741972 0.79 ALOX5 (0.84) ALOX5ALOX15
SCHEMBL10513827 0.78 ALOX5 (0.45) ALOX5ALOX15SLC22A12MAPTRAB9A
SCHEMBL9741489 0.74 ALOX5 (0.48) ALOX5ALOX15MAPTRAB9A
SCHEMBL9740261 0.73 EDNRA (0.45) RAB9A
SCHEMBL9739794 0.72 ALOX5 (0.44) ALOX5ALOX15MAPTRAB9A
SCHEMBL10460563 0.72 KDM4E (0.47) SLC22A12MAPTRAB9A

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