SCHEMBL9050814

SCHEMBL9050814

Cc1cccc(Oc2cccc(C#CCO)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
HAO1 Q9UJM8 1/20 0.42

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 0.86 EGFR (0.43) GRM5HAO1
SCHEMBL9049679 0.84 L3MBTL1 (0.49) HAO1
SCHEMBL9050229 0.80 TLR4 (0.42) GRM5HAO1
SCHEMBL9386945 0.76 ALOX5 (0.59) HAO1
SCHEMBL1011422 0.76 F10 (0.46) GRM5
SCHEMBL2155272 0.75 CHRM2 (0.56) GRM5HAO1
SCHEMBL9051127 0.74 ALOX5 (0.45) HAO1
SCHEMBL9051135 0.73 ALOX5 (0.39) GRM5HAO1
SCHEMBL9049436 0.73 ALOX5 (0.41) HAO1
SCHEMBL17720580 0.73 MAP4K4 (0.55) GRM5

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