SCHEMBL29023372

SCHEMBL29023372

CCCCCCC(CCCC(CCCC)OCCOCCOCCN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
CA2 P00918 2/20 0.41
MAPK1 P28482 1/20 0.41
TLR2 O60603 6/20 0.40
SLC1A3 P43003 1/20 0.40
CPB2 Q96IY4 4/20 0.38
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL17626989 0.84 GRIK1 (0.53) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL26620426 0.84 DNM1 (0.48) TLR2
SCHEMBL29023362 0.82 GRIK1 (0.37) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL26439247 0.81 DNM1 (0.46) TLR2
Propionic Acid SCHEMBL2122182 0.77 DNM1 (0.44) TLR2GPR84FFAR1
Triethylene Glycol SCHEMBL527830 0.77 MAPT (0.56) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL8331529 0.76 GRIK1 (0.56) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL28490749 0.76 GRIK1 (0.56) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL28511943 0.76 GRIK1 (0.56) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL3246465 0.76 DNM1 (0.53) TLR2

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