SCHEMBL9740445

SCHEMBL9740445

CCCc1cc(Cl)c2oc(Cc3ccc(OC(C)=O)cc3)c(C)c2c1OC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.64
ALOX15 P16050 1/20 0.64
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
FPR1 P21462 1/20 0.34

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
SCHEMBL9739661 0.95 ALOX5 (0.72) ALOX5ALOX15FPR1
SCHEMBL9742551 0.93 ALOX5 (0.61) ALOX5ALOX15NPC1MAPTCASP3
SCHEMBL9739854 0.90 ALOX5 (0.64) ALOX5ALOX15MAPT
SCHEMBL9742519 0.85 ALOX5 (0.69) ALOX5ALOX15
SCHEMBL9742027 0.83 ALOX5 (0.72) ALOX5ALOX15FPR1
SCHEMBL9739138 0.82 ALOX5 (0.68) ALOX5ALOX15MAPT
SCHEMBL30095994 0.78 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL6009815 0.78 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL9739591 0.77 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL9740950 0.77 ALOX5 (0.46) ALOX5ALOX15FPR1

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