SCHEMBL29023362

SCHEMBL29023362

CCCCCCC(CCCC(CCCC)OCCOCCOCCN=[N+]=[N-])C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
CA2 P00918 2/20 0.37
MAPK1 P28482 1/20 0.37
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
GPR84 Q9NQS5 3/20 0.33
SLC1A3 P43003 1/20 0.33
FFAR1 O14842 1/20 0.33
MAPT P10636 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
SGPL1 O95470 4/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR3 Q9UBY5 2/20 0.32
ACE2 Q9BYF1 1/20 0.31

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
SCHEMBL29023353 0.92 CA2 (0.41) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL29023372 0.82 GRIK1 (0.44) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL26366420 0.79 LPAR1 (0.45) LPAR1LPAR3
SCHEMBL17381473 0.79 GLP1R (0.48) LPAR1
SCHEMBL30367732 0.74 CA2 (0.46) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL28514983 0.73 DNM1 (0.40) MAPTSGPL1LPAR1LPAR3
SCHEMBL17381380 0.73 GLP1R (0.45)
Triethylene Glycol SCHEMBL527830 0.72 MAPT (0.56) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL8331529 0.72 GRIK1 (0.56) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL28490749 0.72 GRIK1 (0.56) GRIK1GRIK2CA2MAPK1SLC1A2

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-116134020-A Lipid compounds comprising at least one terminal group of formula-NH-CX-A or-NH-CX-NH-A, compositions containing them and uses thereof 赛诺菲巴斯德有限公司 2023-05-16 CN disclosed