SCHEMBL9051127

SCHEMBL9051127

CSc1ccc(Oc2cccc(C#CCO)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.45
SLC6A4 P31645 11/20 0.38
HRH3 Q9Y5N1 8/20 0.38
HAO1 Q9UJM8 3/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A3 Q01959 4/20 0.37
EGFR P00533 1/20 0.37
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL9386945 0.84 ALOX5 (0.59) ALOX5HAO1MAOB
SCHEMBL920824 0.78 PDE4A (0.46) SLC6A4SLC6A2SLC6A3
SCHEMBL9049436 0.77 ALOX5 (0.41) ALOX5SLC6A4HAO1HTR2AKCNH2
SCHEMBL2155272 0.76 CHRM2 (0.56) HAO1EGFRCHRM2CHRM1CHRM3
SCHEMBL1745148 0.75 MMP2 (0.43) ALOX5SLC6A4HRH3MAOBAOC3
SCHEMBL9050814 0.74 GRM5 (0.47) HAO1
SCHEMBL11552615 0.72 NAAA (0.42) ALOX5SLC6A4HRH3HAO1MAOB
SCHEMBL11552305 0.72 FFAR1 (0.42) ALOX5HRH3EGFRMAOB
SCHEMBL11554278 0.72 FFAR1 (0.43) ALOX5SLC6A4HRH3HAO1SLC6A2
SCHEMBL9178583 0.72 ALOX5 (0.52) ALOX5HAO1

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-0540673-B1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1996-10-16 EP disclosed
US-5559144-A LIPOXYGENASE INHIBITORS, INHIBITORS OF BIOSYNTHESIS OF LEUKOTRIENES ABBOTT LABORATORIES (US) 1996-09-24 US disclosed
US-5476873-A Inhibit biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1995-12-19 US disclosed
EP-0540673-A4 1994-04-27 EP disclosed
EP-0540673-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1993-05-12 EP disclosed
WO-1992001682-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1992-02-06 WO disclosed