SCHEMBL9049436

SCHEMBL9049436

Cc1cc(Oc2cccc(C#CCO)c2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.41
PPARG P37231 3/20 0.38
CETP P11597 1/20 0.38
HAO1 Q9UJM8 7/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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 0.79 ALOX5 (0.59) ALOX5HAO1FFAR1
SCHEMBL9051127 0.77 ALOX5 (0.45) ALOX5HAO1HTR2ASLC6A4KCNH2
SCHEMBL2155272 0.75 CHRM2 (0.56) HAO1FFAR1CHRM2CHRM1CHRM3
SCHEMBL11554278 0.74 FFAR1 (0.43) ALOX5HAO1SLC6A4KCNH2FFAR1
SCHEMBL9051135 0.73 ALOX5 (0.39) ALOX5HAO1FFAR1CHRM2CHRM1
SCHEMBL9050814 0.73 GRM5 (0.47) HAO1
SCHEMBL11294787 0.73 FFAR4 (0.43) PPARGCETPHTR2ASLC6A4KCNH2
SCHEMBL11392352 0.72 LTA4H (0.48) HTR2ASLC6A4KCNH2FFAR1FFAR4
SCHEMBL9047572 0.72 ALOX5 (0.78) ALOX5
SCHEMBL11552615 0.71 NAAA (0.42) ALOX5HAO1SLC6A4FFAR1

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