SCHEMBL17866084

SCHEMBL17866084

CCCCCC(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 1/20 0.51
▸ SLC2A1 P11166 1/20 0.50
▸ DGKA P23743 1/20 0.46
▸ AKT1 P31749 2/20 0.44
▸ VEGFA P15692 2/20 0.43
▸ SELP P16109 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ PAM P19021 2/20 0.42
▸ LPAR1 Q92633 2/20 0.42
▸ LPAR3 Q9UBY5 2/20 0.42

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
SCHEMBL9228629 1.00 TLR4 (0.51) TLR4SLC2A1DGKAAKT1VEGFA
SCHEMBL9230804 0.98 TLR4 (0.53) TLR4SLC2A1DGKAAKT1VEGFA
SCHEMBL2195712 0.98 TLR4 (0.53) TLR4SLC2A1DGKAAKT1VEGFA
SCHEMBL7049923 0.98 TLR4 (0.53) TLR4SLC2A1DGKAAKT1VEGFA
SCHEMBL21662370 0.98 TLR4 (0.53) TLR4SLC2A1DGKAAKT1VEGFA
SCHEMBL9231092 0.98 TLR4 (0.53) TLR4SLC2A1DGKAAKT1VEGFA
SCHEMBL6286986 0.98 TLR4 (0.53) TLR4SLC2A1DGKAAKT1VEGFA
SCHEMBL12427213 0.98 TLR4 (0.53) TLR4SLC2A1DGKAAKT1VEGFA
SCHEMBL8506716 0.98 TLR4 (0.53) TLR4SLC2A1DGKAAKT1VEGFA
SCHEMBL9229342 0.98 TLR4 (0.53) TLR4SLC2A1DGKAAKT1VEGFA

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-1782828-B1 PROGRESSION INHIBITOR FOR DISEASE ATTRIBUTED TO ABNORMAL ACCUMULATION OF LIVER FAT KISSEI PHARMACEUTICAL (JP) 2016-06-29 — — EP claimed
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