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Sugi Predict / Compounds / SCHEMBL9125046

SCHEMBL9125046

SCHEMBL9125046

CCCCCCCCCCCCCC(=O)N[C@H]1[C@H](OC(CC(=O)O)CC(=O)O)O[C@H](COC(=O)[C@@H](CCC(=O)O)NC(=O)c2ccc(CCCCCCCC)cc2)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 17/20 0.42
▸ LY96 Q9Y6Y9 6/20 0.39

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
SCHEMBL9568238 1.00 TLR4 (0.42) TLR4LY96
SCHEMBL9127443 0.93 TLR4 (0.43) TLR4LY96
SCHEMBL9127440 0.93 TLR4 (0.43) TLR4LY96
SCHEMBL9568262 0.92 TLR4 (0.42) TLR4LY96
SCHEMBL9126150 0.92 TLR4 (0.42) TLR4LY96
SCHEMBL9125712 0.92 TLR4 (0.43) TLR4LY96
SCHEMBL9125721 0.92 TLR4 (0.43) TLR4LY96
SCHEMBL9127821 0.90 MCHR1 (0.38) TLR4LY96
SCHEMBL9129908 0.88 TLR4 (0.50) TLR4LY96
SCHEMBL9128952 0.88 TLR4 (0.50) TLR4LY96

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-5432267-A Inhibits tumor necrosis factor derivation by endotoxin DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 — — US disclosed
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