SCHEMBL28580679

SCHEMBL28580679

CCCCCCCCCCCCCCC(N)CCCC(N)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.61
GRIK2 Q13002 2/20 0.61
SLC1A2 P43004 2/20 0.58
SLC1A1 P43005 2/20 0.58
NOD1 Q9Y239 3/20 0.55
ALDH1A1 P00352 1/20 0.55
GSR P00390 1/20 0.53
S1PR2 O95136 5/20 0.53
S1PR1 P21453 5/20 0.53
S1PR3 Q99500 5/20 0.53
S1PR4 O95977 4/20 0.53
GPR84 Q9NQS5 3/20 0.52
FFAR1 O14842 1/20 0.52
MAPT P10636 1/20 0.50
DDAH1 O94760 1/20 0.50
SLC1A3 P43003 1/20 0.50
NOS2 P35228 1/20 0.50

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
SCHEMBL28307137 1.00 GRIK1 (0.61) GRIK1GRIK2SLC1A2SLC1A1NOD1
SCHEMBL27608915 1.00 GRIK1 (0.61) GRIK1GRIK2SLC1A2SLC1A1NOD1
SCHEMBL9490505 0.98 GRIK1 (0.59) GRIK1GRIK2SLC1A2SLC1A1NOD1
SCHEMBL11136025 0.92 GRIK1 (0.69) GRIK1GRIK2SLC1A2SLC1A1NOD1
SCHEMBL262931 0.92 GRIK1 (0.69) GRIK1GRIK2SLC1A2SLC1A1NOD1
SCHEMBL23531056 0.92 GRIK1 (0.69) GRIK1GRIK2SLC1A2SLC1A1NOD1
SCHEMBL1768479 0.92 GRIK1 (0.69) GRIK1GRIK2SLC1A2SLC1A1NOD1
SCHEMBL3696105 0.92 GRIK1 (0.69) GRIK1GRIK2SLC1A2SLC1A1NOD1
SCHEMBL5478969 0.92 GRIK1 (0.69) GRIK1GRIK2SLC1A2SLC1A1NOD1
SCHEMBL1272383 0.92 GRIK1 (0.69) GRIK1GRIK2SLC1A2SLC1A1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106232615-B Peptides and methods of use thereof 3B制药有限公司 2021-06-01 CN disclosed