Sugi Predict

Sugi Predict / Compounds / SCHEMBL9852729

SCHEMBL9852729

SCHEMBL9852729

C=CCO[C@@H]1O[C@H](COC(=O)OCc2ccccc2)[C@@H](OP(=O)(c2ccccc2)c2ccccc2)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC=O)C(=O)CCCCCCCCCCCCC)[C@H]1NC(=O)C(F)(F)C(CCCCCCCCCCC)OC(=O)OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 10/20 0.34
▸ SELP P16109 3/20 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
SCHEMBL8583223 0.90 TLR4 (0.42) TLR4
SCHEMBL9019087 0.80 TLR4 (0.42) TLR4SELP
SCHEMBL8581559 0.80 TLR4 (0.44) TLR4
SCHEMBL9019160 0.80 TLR4 (0.44) TLR4
SCHEMBL8579370 0.79 TLR4 (0.37) TLR4SELP
SCHEMBL9019079 0.78 TLR4 (0.51) TLR4SELP
SCHEMBL9852675 0.78 TLR4 (0.51) TLR4SELP
SCHEMBL9019104 0.77 TLR4 (0.44) TLR4SELP
SCHEMBL9019040 0.73 TLR4 (0.35) TLR4
SCHEMBL9019099 0.72 TLR4 (0.49) TLR4SELP

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-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 — — EP disclosed
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