SCHEMBL9049679

SCHEMBL9049679

OCC#Cc1cccc(Oc2cccc(Cl)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.38
F2 P00734 2/20 0.38
F10 P00742 2/20 0.38
HAO1 Q9UJM8 10/20 0.37
MAP4K4 O95819 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MELK Q14680 1/20 0.37
EGFR P00533 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
SCHEMBL9049046 0.84 EGFR (0.43) ALOX5F2F10HAO1EGFR
SCHEMBL9050814 0.84 GRM5 (0.47) HAO1
SCHEMBL9050229 0.80 TLR4 (0.42) ALOX5HAO1MAP4K4ALDH1A1MELK
SCHEMBL9490952 0.77 L3MBTL1 (0.62) L3MBTL1PPARGF2F10MAP4K4
SCHEMBL9386945 0.76 ALOX5 (0.59) ALOX5HAO1ALDH1A1
SCHEMBL959384 0.73 L3MBTL1 (0.57) L3MBTL1PPARGF2F10MAP4K4
SCHEMBL9494460 0.72 L3MBTL1 (0.56) L3MBTL1PPARGF2F10HAO1
SCHEMBL2155272 0.71 CHRM2 (0.56) HAO1EGFR
SCHEMBL9047258 0.71 ALOX5 (0.69) L3MBTL1ALOX5
SCHEMBL2144034 0.70 L3MBTL1 (0.54) L3MBTL1PPARGF2F10HAO1

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