SCHEMBL8304822

SCHEMBL8304822

COC(c1ccc2c(ccc(=O)n2C)c1)c1ccc(C#CC(C)N(O)C(N)=O)s1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.43
EPHX2 P34913 5/20 0.40
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
BRPF1 P55201 2/20 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
SCHEMBL8304825 0.77 ALOX5 (0.52) ALOX5EPHX2ACACBACACA
SCHEMBL8306770 0.77 ALOX5 (0.52) ALOX5EPHX2ACACBACACA
SCHEMBL8305233 0.68 ALOX5 (0.64) ALOX5EPHX2ACACBACACA
SCHEMBL8309444 0.67 ALOX5 (0.63) ALOX5EPHX2ACACBACACA
SCHEMBL8309440 0.67 ALOX5 (0.63) ALOX5EPHX2ACACBACACA
SCHEMBL8309442 0.67 ALOX5 (0.63) ALOX5EPHX2ACACBACACA
SCHEMBL9048145 0.67 ALOX5 (0.59) ALOX5EPHX2ACACBACACA
SCHEMBL9047913 0.65 ALOX5 (0.59) ALOX5EPHX2ACACBACACA
SCHEMBL8309074 0.64 ALOX5 (0.71) ALOX5EPHX2ACACBACACA
SCHEMBL8309061 0.64 ALOX5 (0.71) ALOX5EPHX2ACACBACACA

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-0667855-B1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 1999-03-24 EP disclosed