SCHEMBL9126177

SCHEMBL9126177

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.41
▸ KLK5 Q9Y337 2/20 0.41
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ TLR2 O60603 1/20 0.39
▸ TLR1 Q15399 1/20 0.39
▸ TLR4 O00206 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL9124717 1.00 KLK7 (0.41) KLK7KLK5BCHEACHETLR2
SCHEMBL9568247 1.00 KLK7 (0.41) KLK7KLK5BCHEACHETLR2
SCHEMBL9127055 0.96 KLK7 (0.45) KLK7KLK5TLR4
SCHEMBL9126191 0.96 KLK7 (0.45) KLK7KLK5TLR4
SCHEMBL9128727 0.94 TLR2 (0.41) KLK7KLK5BCHEACHETLR2
SCHEMBL9127439 0.94 TLR2 (0.41) KLK7KLK5BCHEACHETLR2
SCHEMBL9126017 0.94 TLR4 (0.41) TLR4MEN1ALDH1A1HPGDKMT2A
SCHEMBL9127067 0.94 TLR4 (0.41) TLR4MEN1ALDH1A1HPGDKMT2A
SCHEMBL9125250 0.94 TLR4 (0.41) TLR4MEN1ALDH1A1HPGDKMT2A
SCHEMBL9124729 0.91 TLR4 (0.39) TLR4MEN1ALDH1A1HPGDKMT2A

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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