SCHEMBL9075180

SCHEMBL9075180

COC1(c2csc(S(=O)(=O)c3ccc(/C(C)=N/O)c(CC#N)c3)c2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.43
RORC P51449 1/20 0.30

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
SCHEMBL9049132 0.85 ALOX5 (0.37) ALOX5
SCHEMBL9048977 0.84 ALOX5 (0.41) ALOX5
SCHEMBL9075806 0.81 ALOX5 (0.45) ALOX5
SCHEMBL9075809 0.81 ALOX5 (0.45) ALOX5
SCHEMBL9075812 0.81 ALOX5 (0.45) ALOX5
SCHEMBL9076987 0.80 ALOX5 (0.39) ALOX5
SCHEMBL9047697 0.80 ALOX5 (0.63) ALOX5
SCHEMBL9047345 0.80 ALOX5 (0.39) ALOX5
SCHEMBL9273288 0.80 ALOX5 (0.40) ALOX5
SCHEMBL9074674 0.80 ALOX5 (0.43) 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