SCHEMBL9740792

SCHEMBL9740792

COc1ccc(Cc2oc3c(Cl)cc(CCCO)c(O)c3c2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 1.00
ALOX15 P16050 1/20 0.81
PTGES O14684 1/20 0.39
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36

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
SCHEMBL6009815 0.89 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL30095994 0.89 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL9740258 0.86 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL9740536 0.83 ALOX5 (1.00) ALOX5ALOX15SLC5A1SLC5A2
SCHEMBL9741450 0.83 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL9741972 0.81 ALOX5 (0.84) ALOX5ALOX15
SCHEMBL9739868 0.81 ALOX5 (0.84) ALOX5ALOX15
SCHEMBL9740735 0.80 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL9739632 0.79 ALOX5 (0.85) ALOX5ALOX15
SCHEMBL9739631 0.78 ALOX5 (1.00) ALOX5ALOX15

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 3 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