SCHEMBL9077313

SCHEMBL9077313

COC1(c2cc(F)cc(Sc3ccc4c(c3)CC/C4=N\O)c2)CCOC1C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
BRAF P15056 6/20 0.32
MAPK3 P27361 5/20 0.32
MAPK1 P28482 5/20 0.32
ALOX5 P09917 1/20 0.31

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
SCHEMBL9077319 1.00 HTT (0.32) HTTBRAFMAPK3MAPK1ALOX5
SCHEMBL9046849 0.86 ALOX5 (0.37) ALOX5
SCHEMBL9076846 0.83 HTT (0.33) HTTBRAFMAPK3MAPK1ALOX5
SCHEMBL9076849 0.83 HTT (0.33) HTTBRAFMAPK3MAPK1ALOX5
SCHEMBL9077130 0.83 HTT (0.33) HTTBRAFMAPK3MAPK1ALOX5
SCHEMBL9077136 0.83 HTT (0.33) HTTBRAFMAPK3MAPK1ALOX5
SCHEMBL9077133 0.83 HTT (0.33) HTTBRAFMAPK3MAPK1ALOX5
SCHEMBL9076151 0.81 ALOX5 (0.43) HTTALOX5
SCHEMBL9076160 0.81 ALOX5 (0.43) HTTALOX5
SCHEMBL9076156 0.81 ALOX5 (0.43) HTTALOX5

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