SCHEMBL4558554

SCHEMBL4558554

CCOC(=O)c1c(Cc2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 1.00
PTGES O14684 12/20 1.00

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
SCHEMBL530099 0.90 ALOX5 (1.00) ALOX5PTGES
SCHEMBL4558769 0.89 ALOX5 (1.00) ALOX5PTGES
SCHEMBL4322418 0.88 ALOX5 (1.00) ALOX5PTGES
SCHEMBL4556699 0.83 ALOX5 (1.00) ALOX5PTGES
SCHEMBL4325014 0.83 ALOX5 (1.00) ALOX5PTGES
SCHEMBL4338584 0.82 ALOX5 (1.00) ALOX5PTGES
SCHEMBL4558036 0.81 ALOX5 (0.77) ALOX5PTGES
SCHEMBL4558273 0.81 ALOX5 (0.87) ALOX5PTGES
SCHEMBL4332344 0.79 ALOX5 (1.00) ALOX5PTGES
SCHEMBL4326672 0.78 ALOX5 (1.00) ALOX5PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009146696-A1 USE OF INDOLE-3-CARBOXYLIC ESTERS FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE Universität Tübingen (DE) 2009-12-10 WO disclosed