SCHEMBL9048196

SCHEMBL9048196

CC(C#CCNCc1ccc(F)cc1)N(O)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.54
EPHX2 P34913 9/20 0.54
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.40

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
SCHEMBL9048865 0.75 ALOX5 (0.49) ALOX5EPHX2
SCHEMBL9048193 0.74 ALOX5 (0.50) ALOX5EPHX2
SCHEMBL9046357 0.74 ALOX5 (0.65) ALOX5EPHX2
SCHEMBL8310117 0.72 ALOX5 (0.63) ALOX5EPHX2
SCHEMBL2108326 0.70 ALOX5 (0.69) ALOX5EPHX2HPGD
SCHEMBL2108330 0.70 ALOX5 (0.69) ALOX5EPHX2HPGD
Atreleuton SCHEMBL2108309 0.70 ALOX5 (1.00) ALOX5EPHX2
Atreleuton SCHEMBL2107799 0.70 ALOX5 (1.00) ALOX5EPHX2
SCHEMBL8306465 0.70 ALOX5 (0.63) ALOX5EPHX2
Atreleuton SCHEMBL504818 0.70 ALOX5 (1.00) 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