SCHEMBL9740828

SCHEMBL9740828

C=CCOc1c(Cl)ccc2oc(C(=O)c3ccc(OC)cc3)c(C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOB P27338 1/20 0.41
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40

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
SCHEMBL10559153 0.82 EDNRA (0.40) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL9740078 0.81 EDNRA (0.48) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL9741101 0.80 KDM4E (0.56) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL9739585 0.76 ALOX5 (0.46) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL9739654 0.75 KMT2A (0.47) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL9739558 0.71 ALOX5 (0.56) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL9741993 0.70 ALDH1A1 (0.52) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL9741193 0.69 ALOX5 (0.61) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL9740048 0.69 MAPT (0.56) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL10738961 0.69 KDM4E (0.44) MAPTKDM4ESMN1; SMN2NPC1RAB9A

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