SCHEMBL8579544

SCHEMBL8579544

CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@@H]1O)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 7/20 0.35
▸ DAGLA Q9Y4D2 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SELP P16109 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ PRCP P42785 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL10747306 0.94 TLR4 (0.33) TLR4DAGLASELPCNR2PRCP
SCHEMBL9521824 0.89 TLR4 (0.37) TLR4SELPL3MBTL1
SCHEMBL10354147 0.89 TLR4 (0.40) TLR4DAGLASELP
SCHEMBL10772297 0.89 TLR4 (0.38) TLR4DAGLASELP
SCHEMBL8577163 0.88 BCHE (0.34) TLR4SELPL3MBTL1
SCHEMBL9019205 0.88 BCHE (0.34) TLR4SELPL3MBTL1
SCHEMBL8579402 0.88 BCHE (0.34) TLR4SELPL3MBTL1
SCHEMBL10610554 0.83 TLR4 (0.42) TLR4SELPL3MBTL1
SCHEMBL10610859 0.83 TLR4 (0.42) TLR4SELPL3MBTL1
SCHEMBL6807464 0.82 L3MBTL1 (0.40) TLR4SELPL3MBTL1

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
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 — — US disclosed
Send feedback