SCHEMBL21662370

SCHEMBL21662370

CCCCCCCCCC(=O)OCC1OC(O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.53
SLC2A1 P11166 1/20 0.49
DGKA P23743 1/20 0.49
AKT1 P31749 2/20 0.46
PAM P19021 2/20 0.45
VEGFA P15692 3/20 0.45
SELP P16109 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
LPAR1 Q92633 2/20 0.44
LPAR3 Q9UBY5 2/20 0.44

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
SCHEMBL2195712 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL7049923 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL2195708 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL2200385 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL13561244 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL9225257 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL2830913 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL9230101 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL13561243 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL9390433 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM

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
WO-2020025693-A1 MONOESTER SUGAR DERIVATIVES AS FLAVOR MODIFIERS FIRMENICH SA (CH) 2020-02-06 WO disclosed