SCHEMBL9049066

SCHEMBL9049066

CC(C#CCCc1ccccc1)N(O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 0.47
EPHX2 P34913 5/20 0.43
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL9367947 0.95 ALOX5 (0.44) ALOX5EPHX2ACACBACACA
SCHEMBL9049626 0.92 ALOX5 (0.45) ALOX5EPHX2ACACBACACA
SCHEMBL9048880 0.85 ALOX5 (0.52) ALOX5EPHX2ACACBACACA
SCHEMBL9048462 0.83 FFAR1 (0.39) FFAR1FFAR4
SCHEMBL9047626 0.80 ALOX5 (0.44) ALOX5EPHX2ACACBACACA
SCHEMBL9049644 0.77 ALOX5 (0.48) ALOX5EPHX2ACACBACACA
SCHEMBL9047247 0.76 ALOX5 (0.46) ALOX5EPHX2ACACBACACA
SCHEMBL9046472 0.76 ALOX5 (0.58) ALOX5EPHX2ACACBACACA
SCHEMBL9048632 0.75 ALOX5 (0.69) ALOX5EPHX2ACACBACACA
SCHEMBL9048674 0.74 ALOX5 (0.71) ALOX5EPHX2ACACBACACA

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 7 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 claimed
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