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Sugi Predict / Compounds / SCHEMBL10613554

SCHEMBL10613554

SCHEMBL10613554

CCCCCCCCCCCCCC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.56
▸ SELP P16109 1/20 0.46
▸ LY96 Q9Y6Y9 3/20 0.45

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
SCHEMBL10613216 0.97 TLR4 (0.60) TLR4SELPLY96
SCHEMBL6800991 0.95 TLR4 (0.57) TLR4SELPLY96
SCHEMBL6795483 0.95 TLR4 (0.57) TLR4SELPLY96
SCHEMBL6807623 0.95 TLR4 (0.57) TLR4SELPLY96
SCHEMBL6807622 0.95 TLR4 (0.57) TLR4SELPLY96
SCHEMBL8436288 0.92 TLR4 (0.54) TLR4SELPLY96
SCHEMBL8431958 0.92 TLR4 (0.54) TLR4SELPLY96
SCHEMBL10418883 0.91 TLR4 (0.54) TLR4SELPLY96
SCHEMBL8431429 0.91 TLR4 (0.53) TLR4SELPLY96
SCHEMBL10961054 0.90 TLR4 (0.58) TLR4SELPLY96

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-4746742-A IMMUNOLOGY, ANTI-TUMOR TOHO YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1988-05-24 — — US disclosed
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