SCHEMBL8933603

SCHEMBL8933603

CC(O)C#Cc1ccc(Oc2ccc(F)cc2)o1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.65
ACACB O00763 1/20 0.35
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8876995 0.85 ALOX5 (0.61) ALOX5ACACBALDH1A1
SCHEMBL8880045 0.85 ALOX5 (0.61) ALOX5ACACBALDH1A1
SCHEMBL8879173 0.85 ALOX5 (0.61) ALOX5ACACBALDH1A1
SCHEMBL12420450 0.81 ALOX5 (0.83) ALOX5
SCHEMBL13140099 0.81 ALOX5 (0.83) ALOX5
SCHEMBL8590069 0.79 ALOX5 (1.00) ALOX5ACACB
SCHEMBL1894729 0.79 ALOX5 (0.60) ALOX5ACACB
SCHEMBL6438420 0.79 ALOX5 (1.00) ALOX5ACACB
SCHEMBL1807930 0.79 ALOX5 (1.00) ALOX5ACACB
SCHEMBL19460245 0.79 ALOX5 (0.60) ALOX5ACACB

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
WO-1996032377-A1 LIPOXYGENASE AND CYCLOOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1996-10-17 WO disclosed
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-5516789-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-05-14 US disclosed
US-5476873-A Inhibit biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1995-12-19 US disclosed