SCHEMBL8304903

SCHEMBL8304903

CC(O)C#Cc1ccc(Cc2ccc(F)cc2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.65
EPHX2 P34913 1/20 0.65
DPP4 P27487 2/20 0.37
HSD17B2 P37059 1/20 0.36
TRPA1 O75762 1/20 0.34
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
GAA P10253 2/20 0.33
ACACB O00763 1/20 0.33
NPSR1 Q6W5P4 1/20 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
SCHEMBL15122395 0.85 ALOX5 (0.61) ALOX5EPHX2DPP4HSD17B2TRPA1
SCHEMBL15122396 0.85 ALOX5 (0.61) ALOX5EPHX2DPP4HSD17B2TRPA1
SCHEMBL13140100 0.81 ALOX5 (0.83) ALOX5EPHX2HPGDNPSR1
Atreleuton SCHEMBL2107799 0.79 ALOX5 (1.00) ALOX5EPHX2ACACB
Atreleuton SCHEMBL2108309 0.79 ALOX5 (1.00) ALOX5EPHX2ACACB
Atreleuton SCHEMBL504818 0.79 ALOX5 (1.00) ALOX5EPHX2ACACB
SCHEMBL8948277 0.78 ALOX5 (0.78) ALOX5EPHX2HPGDSMN1; SMN2ALDH1A1
SCHEMBL8933712 0.77 ALOX5 (0.64) ALOX5EPHX2HPGDSMN1; SMN2ALDH1A1
SCHEMBL2124518 0.77 ALOX5 (0.51) ALOX5EPHX2HSD17B2HPGDSMN1; SMN2
SCHEMBL2872801 0.72 ALOX5 (0.73) ALOX5EPHX2NR1D1

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 5 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
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