SCHEMBL9048409

SCHEMBL9048409

CNC(=O)N(O)C(C)C#Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.53
EPHX2 P34913 9/20 0.44
NPSR1 Q6W5P4 1/20 0.40
PTGES O14684 1/20 0.39
FFAR1 O14842 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39

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
SCHEMBL9046613 0.86 ALOX5 (0.43) ALOX5EPHX2FFAR1ACACBACACA
SCHEMBL9047965 0.85 ALOX5 (0.43) ALOX5EPHX2FFAR1ACACBACACA
SCHEMBL9047354 0.85 ALOX5 (0.43) ALOX5EPHX2PTGESACACB
SCHEMBL9048114 0.85 ALOX5 (0.43) ALOX5EPHX2ACACBACACA
SCHEMBL9048100 0.82 ACACB (0.47) ALOX5EPHX2ACACB
SCHEMBL9048674 0.81 ALOX5 (0.71) ALOX5EPHX2ACACBACACA
SCHEMBL9473424 0.79 FFAR1 (0.50) ALOX5FFAR1
SCHEMBL9047172 0.76 ALOX5 (0.59) ALOX5EPHX2PTGESFFAR1ACACB
SCHEMBL8965207 0.75 ACACB (0.48) ALOX5EPHX2FFAR1ACACB
SCHEMBL9046903 0.75 ALOX5 (0.74) ALOX5EPHX2

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 2 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