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Sugi Predict / Compounds / SCHEMBL9624885

SCHEMBL9624885

SCHEMBL9624885

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H](O)O[C@H](COC(=O)OCC(Cl)(Cl)Cl)[C@H]1OP(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 17/20 0.46
▸ LY96 Q9Y6Y9 5/20 0.32
▸ TNF P01375 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ PGR P06401 1/20 0.30

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
SCHEMBL9624883 1.00 TLR4 (0.46) TLR4LY96TNFESR1PGR
SCHEMBL3939070 0.90 TLR4 (0.40) TLR4LY96
SCHEMBL3931319 0.90 TLR4 (0.40) TLR4LY96
SCHEMBL3934090 0.90 TLR4 (0.40) TLR4LY96
SCHEMBL3934092 0.90 TLR4 (0.40) TLR4LY96
SCHEMBL3938226 0.90 TLR4 (0.40) TLR4LY96
SCHEMBL3938220 0.90 TLR4 (0.40) TLR4LY96
SCHEMBL7858802 0.90 TLR4 (0.40) TLR4LY96
SCHEMBL3930904 0.90 TLR4 (0.40) TLR4LY96
SCHEMBL3939054 0.90 TLR4 (0.40) 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
EP-0172581-B1 DISACCHARIDE DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1992-05-06 — — EP disclosed
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