SCHEMBL9076880

SCHEMBL9076880

COC1(c2csc(Sc3ccc4c(c3)OCCC4=NOC(=O)C(C)(C)C)c2)CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL9077075 0.91 ALOX5 (0.37) ALOX5
SCHEMBL9076131 0.89 ALOX5 (0.41) ALOX5ALDH1A1
SCHEMBL9074364 0.85 ALOX5 (0.38) ALOX5
SCHEMBL9074354 0.85 ALOX5 (0.38) ALOX5
SCHEMBL9048787 0.82 ALOX5 (0.42) ALOX5ALDH1A1
SCHEMBL9045554 0.81 ALOX5 (0.39) ALOX5
SCHEMBL9073784 0.79 ALOX5 (0.34) ALOX5
SCHEMBL9077038 0.77 ALOX5 (0.33) ALOX5
SCHEMBL9048706 0.75 ALOX5 (0.39) ALOX5
SCHEMBL9076879 0.75 ALOX5 (0.33) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5482966-A LIPOXYGENASE ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 1996-01-09 US disclosed
US-5332757-A Enzyme inhibitors ZENECA LIMITED (GB) 1994-07-26 US disclosed