SCHEMBL9126692

SCHEMBL9126692

CCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OC(CC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)O[C@H](COC(=O)[C@@H](CCC(=O)OC(=O)c2ccccc2)NC(=O)OC(C)(C)C)[C@@H](O)[C@@H]1OC(=O)CNC(=O)CCCCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ KLK7 P49862 2/20 0.37
▸ KLK5 Q9Y337 2/20 0.37
▸ TLR2 O60603 1/20 0.37
▸ TLR1 Q15399 1/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SIRT2 Q8IXJ6 3/20 0.34
▸ LGALS8 O00214 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ SIRT3 Q9NTG7 1/20 0.33

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
SCHEMBL9124175 0.91 MEN1 (0.38) BCHEACHEMEN1ALDH1A1HPGD
SCHEMBL9568247 0.91 KLK7 (0.41) BCHEACHEKLK7KLK5TLR2
SCHEMBL9126177 0.91 KLK7 (0.41) BCHEACHEKLK7KLK5TLR2
SCHEMBL9124717 0.91 KLK7 (0.41) BCHEACHEKLK7KLK5TLR2
SCHEMBL9126453 0.90 MEN1 (0.40) BCHEACHEMEN1ALDH1A1HPGD
SCHEMBL9128727 0.89 TLR2 (0.41) BCHEACHEKLK7KLK5TLR2
SCHEMBL9127439 0.89 TLR2 (0.41) BCHEACHEKLK7KLK5TLR2
SCHEMBL9126191 0.88 KLK7 (0.45) KLK7KLK5LGALS8
SCHEMBL9127055 0.88 KLK7 (0.45) KLK7KLK5LGALS8
SCHEMBL9126017 0.84 TLR4 (0.41) MEN1ALDH1A1HPGDKMT2ALGALS8

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
Send feedback