SCHEMBL16162181

SCHEMBL16162181

CCCCCCCCCCC(N)CC(C)(O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.49
GRIK2 Q13002 2/20 0.49
ALDH1A1 P00352 1/20 0.47
S1PR2 O95136 5/20 0.46
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 5/20 0.46
S1PR4 O95977 4/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
CA2 P00918 1/20 0.46
HSPD1 P10809 1/20 0.45
BLM P54132 1/20 0.45
HSPE1 P61604 1/20 0.45
GPR84 Q9NQS5 4/20 0.44
FFAR1 O14842 1/20 0.44
MAPT P10636 1/20 0.43
LCK P06239 1/20 0.43
PPARD Q03181 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43

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
SCHEMBL1018592 0.84 CA2 (0.47) GRIK1GRIK2CA2HSPD1BLM
SCHEMBL17560001 0.82 ACE2 (0.53) GRIK1GRIK2CA2HSPD1BLM
SCHEMBL5597126 0.80 CA2 (0.47) GRIK1GRIK2SLC1A2SLC1A1CA2
Bromide SCHEMBL9460978 0.79 S1PR2 (0.46) GRIK1GRIK2ALDH1A1S1PR2S1PR1
Bicarbonate SCHEMBL18277700 0.78 ALDH1A1 (0.64) GRIK1GRIK2ALDH1A1S1PR2S1PR1
Acetic Acid SCHEMBL18237031 0.77 ALDH1A1 (0.62) GRIK1GRIK2ALDH1A1S1PR2S1PR1
SCHEMBL8416892 0.77 PLA2G1B (0.50) GRIK1GRIK2ALDH1A1S1PR2S1PR1
Acetic Acid SCHEMBL10704212 0.77 ALDH1A1 (0.62) GRIK1GRIK2ALDH1A1S1PR2S1PR1
Acetic Acid SCHEMBL9782794 0.77 ALDH1A1 (0.62) GRIK1GRIK2ALDH1A1S1PR2S1PR1
Acetic Acid SCHEMBL28860545 0.77 ALDH1A1 (0.62) GRIK1GRIK2ALDH1A1S1PR2S1PR1

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
EP-2128263-B1 METHOD FOR PRODUCTION OF L-AMINO ACID AJINOMOTO KK (JP) 2014-10-15 EP claimed