SCHEMBL9625060

SCHEMBL9625060

CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H](O)O[C@@H]2COC(C)(C)O[C@@H]12)OCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 1/20 0.31
▸ TLR4 O00206 4/20 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
SCHEMBL9625057 0.90 TLR4 (0.30) TLR4
SCHEMBL9786196 0.89 TLR4 (0.33) TLR4
SCHEMBL25413291 0.86 TLR4 (0.41) TLR4
SCHEMBL10772297 0.84 TLR4 (0.38) DAGLATLR4
SCHEMBL3930983 0.81 TLR4 (0.41) TLR4
SCHEMBL10747306 0.80 TLR4 (0.33) DAGLATLR4
SCHEMBL3932412 0.80 TLR4 (0.42) TLR4
SCHEMBL3940624 0.80 TLR4 (0.42) TLR4
SCHEMBL3929444 0.80 TLR4 (0.42) TLR4
SCHEMBL3925769 0.80 TLR4 (0.42) TLR4

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-0172581-B1 DISACCHARIDE DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1992-05-06 — — EP disclosed
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