SCHEMBL9740770

SCHEMBL9740770

COc1ccc(Cc2oc3cccc(O)c3c2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 1.00
ALOX15 P16050 1/20 0.52
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
VKORC1 Q9BQB6 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
LTA4H P09960 1/20 0.42

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
SCHEMBL9740305 0.88 ALOX5 (0.78) ALOX5ALOX15HTR2CHTR2BNPC1
SCHEMBL9739633 0.78 ALOX5 (0.72) ALOX5ALOX15
SCHEMBL9739804 0.77 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL9740040 0.76 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL10515100 0.76 ALOX5 (0.61) ALOX5ALOX15
SCHEMBL10513840 0.75 ALOX5 (0.71) ALOX5ALOX15
SCHEMBL9739958 0.75 ALOX5 (0.71) ALOX5ALOX15
SCHEMBL9740774 0.75 ALOX5 (0.74) ALOX5ALOX15VKORC1
Hydrochloric Acid SCHEMBL9740357 0.75 ALOX5 (0.71) ALOX5ALOX15
SCHEMBL9739761 0.74 ALOX5 (0.59) ALOX5ALOX15NPC1MAPTRAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1316371-A None JP disclosed
US-5087638-A Inhibitors of mammalian leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1992-02-11 US disclosed
JP-H01316371-A BENZOFURAN DERIVATIVE MERCK FROSST CANADA INC 1989-12-21 JP 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