SCHEMBL8747904

SCHEMBL8747904

CCCCCCCCCCCCCC(CN)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.52
GRIK1 P39086 2/20 0.50
GRIK2 Q13002 2/20 0.50
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
CA1 P00915 3/20 0.46
GPR84 Q9NQS5 5/20 0.45
FFAR1 O14842 1/20 0.45
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
RRM1 P23921 1/20 0.43
LAP3 P28838 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
SCHEMBL23015791 0.91 CA2 (0.54) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL1260468 0.87 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL1038699 0.87 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9356367 0.87 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL11380532 0.87 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL1260244 0.87 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9639022 0.87 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9727189 0.87 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL1259905 0.87 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL8950093 0.87 CA2 (0.59) CA2GRIK1GRIK2SLC1A2SLC1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0599732-B1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR (FR) 1997-03-12 EP claimed
EP-0599732-A1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-06-01 EP claimed
EP-0599732-B1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR (FR) 1997-03-12 EP disclosed
EP-0599732-A1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-06-01 EP disclosed