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Sugi Predict / Compounds / SCHEMBL9126191

SCHEMBL9126191

SCHEMBL9126191

CCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OC(CC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)O[C@H](COC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.45
▸ KLK5 Q9Y337 1/20 0.45
▸ TLR4 O00206 8/20 0.39
▸ LY96 Q9Y6Y9 3/20 0.37
▸ LGALS8 O00214 1/20 0.37

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
SCHEMBL9127055 1.00 KLK7 (0.45) KLK7KLK5TLR4LY96LGALS8
SCHEMBL9126177 0.96 KLK7 (0.41) KLK7KLK5TLR4
SCHEMBL9568247 0.96 KLK7 (0.41) KLK7KLK5TLR4
SCHEMBL9124717 0.96 KLK7 (0.41) KLK7KLK5TLR4
SCHEMBL9124536 0.93 TLR4 (0.42) TLR4LY96LGALS8
SCHEMBL9127454 0.93 TLR4 (0.42) TLR4LY96LGALS8
SCHEMBL9126379 0.91 TLR4 (0.42) TLR4LY96LGALS8
SCHEMBL9127439 0.90 TLR2 (0.41) KLK7KLK5TLR4
SCHEMBL9128727 0.90 TLR2 (0.41) KLK7KLK5TLR4
SCHEMBL9127067 0.89 TLR4 (0.41) TLR4LY96LGALS8

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 2 patents. 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
EP-0563908-A1 Amino sugar derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-10-06 — — EP disclosed
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