SCHEMBL8306784

SCHEMBL8306784

C[C@H](C#Cc1ccc(Cc2cc3ccccc3s2)s1)N(O)C(N)=O

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.72
EPHX2 P34913 3/20 0.62
CYP1A2 P05177 2/20 0.50
PTGES O14684 1/20 0.50
LMNA P02545 1/20 0.50
LTA4H P09960 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
ALOX5AP P20292 1/20 0.50
LOX P28300 1/20 0.50
PTGS2 P35354 1/20 0.50
LTB4R Q15722 1/20 0.50
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45

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
SCHEMBL8883457 1.00 ALOX5 (0.72) ALOX5EPHX2CYP1A2PTGESLMNA
SCHEMBL8304568 0.84 ALOX5 (0.70) ALOX5EPHX2CYP1A2PTGESLMNA
SCHEMBL8304562 0.84 ALOX5 (0.70) ALOX5EPHX2CYP1A2PTGESLMNA
SCHEMBL9049119 0.84 ALOX5 (1.00) ALOX5EPHX2CYP1A2PTGESLMNA
SCHEMBL8303836 0.83 ALOX5 (0.79) ALOX5EPHX2ACACBACACA
SCHEMBL8303838 0.83 ALOX5 (0.79) ALOX5EPHX2ACACBACACA
SCHEMBL8309061 0.82 ALOX5 (0.71) ALOX5EPHX2CYP1A2PTGESLMNA
SCHEMBL8309069 0.82 ALOX5 (0.71) ALOX5EPHX2CYP1A2PTGESLMNA
SCHEMBL8309074 0.82 ALOX5 (0.71) ALOX5EPHX2CYP1A2PTGESLMNA
SCHEMBL8303854 0.81 ALOX5 (0.66) 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 9 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
EP-0667855-A4 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1996-02-21 EP disclosed
EP-0667855-A1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-08-23 EP disclosed
WO-1994011342-A1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-05-26 WO disclosed