SCHEMBL9740454

SCHEMBL9740454

CCc1oc2cccc(O)c2c1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.57
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
TTR P02766 4/20 0.43
MAOA P21397 3/20 0.40
AR P10275 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM1A O60341 3/20 0.39
ATM Q13315 2/20 0.39
SLC22A12 Q96S37 1/20 0.39
EYA3 Q99504 1/20 0.39
EGFR P00533 1/20 0.39
TRPA1 O75762 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 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
SCHEMBL9133711 0.88 MAOA (0.51) ALOX5NPC1MAPTRAB9ATTR
SCHEMBL9136675 0.86 MAOA (0.50) ALOX5NPC1MAPTRAB9ATTR
SCHEMBL9139936 0.86 MAOA (0.50) ALOX5NPC1MAPTRAB9ATTR
SCHEMBL10744144 0.85 ALOX5 (0.57) ALOX5NPC1MAPTRAB9AMAOA
SCHEMBL23532124 0.81 ALOX5 (0.57) ALOX5NPC1MAPTRAB9AMAOA
SCHEMBL15012191 0.80 ALOX5 (0.52) ALOX5NPC1MAPTRAB9AMAOA
SCHEMBL23531953 0.78 ALOX5 (0.48) ALOX5NPC1MAPTRAB9AAR
SCHEMBL10739689 0.77 MAPT (0.50) ALOX5NPC1MAPTRAB9AMAOA
SCHEMBL3730245 0.76 MAPT (0.51) ALOX5NPC1MAPTRAB9AMAOA
SCHEMBL28249620 0.76 MAPT (0.45) ALOX5NPC1MAPTRAB9ATTR

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