SCHEMBL9077286

SCHEMBL9077286

COC1(c2cc(F)cc(Sc3ccc4c(c3)CCC4=NOC(C)=O)c2)CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.41
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL9048706 0.88 ALOX5 (0.39) ALOX5
SCHEMBL9076160 0.87 ALOX5 (0.43) ALOX5
SCHEMBL9076156 0.87 ALOX5 (0.43) ALOX5
SCHEMBL9076151 0.87 ALOX5 (0.43) ALOX5
SCHEMBL9048186 0.83 ALOX5 (0.40) ALOX5
SCHEMBL9046672 0.82 ALOX5 (0.51) ALOX5
SCHEMBL9076574 0.81 ALOX5 (0.41) ALOX5
SCHEMBL9049977 0.77 ALOX5 (0.39) ALOX5
SCHEMBL9049483 0.76 ALOX5 (0.51) ALOX5ALDH1A1
SCHEMBL9048645 0.76 ALOX5 (0.44) 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