SCHEMBL9048865

SCHEMBL9048865

CC(C#CCN(C)c1ccc(F)cc1)N(O)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.49
EPHX2 P34913 9/20 0.49

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
SCHEMBL9048196 0.75 ALOX5 (0.54) ALOX5EPHX2
SCHEMBL9046357 0.75 ALOX5 (0.65) ALOX5EPHX2
SCHEMBL9047626 0.71 ALOX5 (0.44) ALOX5EPHX2
SCHEMBL9048193 0.69 ALOX5 (0.50) ALOX5EPHX2
SCHEMBL9048880 0.68 ALOX5 (0.52) ALOX5EPHX2
SCHEMBL5148459 0.66 APP (0.39)
Atreleuton SCHEMBL2108309 0.66 ALOX5 (1.00) ALOX5EPHX2
SCHEMBL8310117 0.66 ALOX5 (0.63) ALOX5EPHX2
Atreleuton SCHEMBL2107799 0.66 ALOX5 (1.00) ALOX5EPHX2
SCHEMBL8306465 0.66 ALOX5 (0.63) ALOX5EPHX2

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
EP-0540673-B1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1996-10-16 EP disclosed