SCHEMBL8578168

SCHEMBL8578168

C=CCO[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](OC(=O)CCCCCCCCCCCCC)[C@H]1NC(=O)[C@@H](F)[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 17/20 0.34
▸ LY96 Q9Y6Y9 6/20 0.32

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
SCHEMBL8581372 1.00 TLR4 (0.34) TLR4LY96
SCHEMBL8579354 0.92 TLR2 (0.32) TLR4
SCHEMBL8580554 0.81 TLR4 (0.44) TLR4LY96
SCHEMBL8578333 0.81 TLR4 (0.44) TLR4LY96
SCHEMBL8576904 0.78 L3MBTL1 (0.33) —
SCHEMBL8579743 0.78 L3MBTL1 (0.33) —
SCHEMBL7566809 0.76 L3MBTL1 (0.34) —
SCHEMBL9019191 0.76 TLR4 (0.43) TLR4
SCHEMBL9019090 0.76 TLR4 (0.43) TLR4
SCHEMBL12560742 0.75 MAPK1 (0.42) —

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
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