SCHEMBL8306770

SCHEMBL8306770

C[C@H](C#Cc1ccc(COCc2ccc3c(ccc(=O)n3C)c2)s1)N(O)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.52
EPHX2 P34913 1/20 0.52
MMP1 P03956 1/20 0.38
ADAM17 P78536 1/20 0.38
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36

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 1.00 ALOX5 (0.52) ALOX5EPHX2MMP1ADAM17ACACB
SCHEMBL8308533 0.79 ALOX5 (0.77) ALOX5EPHX2ACACBACACA
SCHEMBL8308536 0.79 ALOX5 (0.77) ALOX5EPHX2ACACBACACA
SCHEMBL8304822 0.77 ALOX5 (0.43) ALOX5EPHX2ACACBACACA
SCHEMBL8304568 0.73 ALOX5 (0.70) ALOX5EPHX2ACACBACACA
SCHEMBL8304562 0.73 ALOX5 (0.70) ALOX5EPHX2ACACBACACA
Atreleuton SCHEMBL2108309 0.69 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
SCHEMBL2109638 0.69 ALOX5 (0.80) ALOX5EPHX2ACACBACACA
Atreleuton SCHEMBL2107799 0.69 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
SCHEMBL2109641 0.69 ALOX5 (0.80) 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 6 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 claimed
EP-0667855-A4 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1996-02-21 EP claimed
EP-0667855-A1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-08-23 EP claimed
WO-1994011342-A1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-05-26 WO claimed
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