SCHEMBL9128727

SCHEMBL9128727

CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](COC(=O)[C@@H](CCC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)O[C@H](OC(CC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)[C@@H]1NC(=O)CCCCCCCNC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.41
▸ TLR1 Q15399 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KLK7 P49862 3/20 0.39
▸ KLK5 Q9Y337 3/20 0.39
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ SIRT2 Q8IXJ6 6/20 0.37
▸ SIRT1 Q96EB6 3/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ TLR4 O00206 2/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL9127439 1.00 TLR2 (0.41) TLR2TLR1MEN1ALDH1A1HPGD
SCHEMBL9126181 0.94 MEN1 (0.42) MEN1ALDH1A1HPGDKMT2ABCHE
SCHEMBL9125656 0.94 MEN1 (0.42) MEN1ALDH1A1HPGDKMT2ABCHE
SCHEMBL9125725 0.94 MEN1 (0.42) MEN1ALDH1A1HPGDKMT2ABCHE
SCHEMBL9126739 0.94 MEN1 (0.42) MEN1ALDH1A1HPGDKMT2ABCHE
SCHEMBL9126177 0.94 KLK7 (0.41) TLR2TLR1MEN1ALDH1A1HPGD
SCHEMBL9124717 0.94 KLK7 (0.41) TLR2TLR1MEN1ALDH1A1HPGD
SCHEMBL9568247 0.94 KLK7 (0.41) TLR2TLR1MEN1ALDH1A1HPGD
SCHEMBL9128735 0.93 TLR2 (0.42) TLR2TLR1MEN1ALDH1A1HPGD
SCHEMBL9127055 0.90 KLK7 (0.45) KLK7KLK5TLR4

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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