SCHEMBL8305355

SCHEMBL8305355

CC(C#Cc1ccc(C(=O)c2ccccc2)cc1)N(O)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 0.58
EPHX2 P34913 15/20 0.55

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
SCHEMBL9048674 0.88 ALOX5 (0.71) ALOX5EPHX2
SCHEMBL8305352 0.88 ALOX5 (0.68) ALOX5EPHX2
SCHEMBL8965068 0.86 ALOX5 (0.61) ALOX5EPHX2
SCHEMBL9048203 0.82 ALOX5 (0.79) ALOX5EPHX2
SCHEMBL9046903 0.82 ALOX5 (0.74) ALOX5EPHX2
SCHEMBL8305356 0.81 ALOX5 (0.50) ALOX5EPHX2
SCHEMBL9047292 0.81 ALOX5 (0.64) ALOX5EPHX2
SCHEMBL9046357 0.80 ALOX5 (0.65) ALOX5EPHX2
SCHEMBL9049196 0.80 ALOX5 (0.62) ALOX5EPHX2
SCHEMBL9048949 0.80 ALOX5 (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667855-B1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 1999-03-24 EP disclosed
US-5616596-A Substituted arylalkynyl-and heteroarylalkynl-N-hydroxyurea inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5288751-A [(Substituted) phenyalkyl]furylalkynyl-and [substituted) phenyalkyl] thienylalkynyl-N-hydroxyurea inhibitors or leukotriene biosynthesis ABBOTT LABORATORIES (US) 1994-02-22 US disclosed