SCHEMBL8305231

SCHEMBL8305231

NC(=O)N(O)CC#CCc1ccc(CCc2ccc(F)cc2)s1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.58
EPHX2 P34913 2/20 0.39
S1PR1 P21453 1/20 0.35
NR3C2 P08235 1/20 0.33
FFAR1 O14842 1/20 0.33
TAAR1 Q96RJ0 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL527586 0.89 ALOX5 (0.72) ALOX5EPHX2NPC1ALDH1A1RAB9A
SCHEMBL9026098 0.85 ALOX5 (0.55) ALOX5EPHX2ALDH1A1
SCHEMBL9024981 0.81 ALOX5 (0.50) ALOX5FFAR1
SCHEMBL9023854 0.80 ALOX5 (0.51) ALOX5EPHX2S1PR1NPC1ALDH1A1
SCHEMBL9078235 0.79 ALOX5 (0.55) ALOX5
SCHEMBL9025717 0.78 ALOX5 (0.49) ALOX5EPHX2
SCHEMBL8305227 0.77 ALOX5 (0.48) ALOX5EPHX2
SCHEMBL5986472 0.77 ALOX5 (0.56) ALOX5EPHX2
SCHEMBL9025000 0.76 ALOX5 (0.56) ALOX5EPHX2
SCHEMBL9026054 0.76 ALOX5 (0.55) ALOX5EPHX2NPC1ALDH1A1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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