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Bacillomycin D(C15)

Bacillomycin D(C15)

SCHEMBL29777429

CCC(C)CCCCCCCCC1CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.51
▸ KLK5 Q9Y337 2/20 0.48
▸ ST14 Q9Y5Y6 1/20 0.48
▸ PCSK9 Q8NBP7 1/20 0.48
▸ GABBR2 O75899 1/20 0.47
▸ GABBR1 Q9UBS5 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ ALB P02768 1/20 0.46
▸ ELANE P08246 4/20 0.46
▸ KEAP1 Q14145 2/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ ITGB5 P18084 1/20 0.46
▸ HDAC4 P56524 2/20 0.46

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
Bacillomycin D(C15) SCHEMBL27055650 1.00 PLG (0.52) PLGSLC6A3KLK5ST14PCSK9
Bacillomycin D(C14) SCHEMBL29777427 0.95 SLC6A3 (0.52) PLGSLC6A3KLK5ST14PCSK9
SCHEMBL29390244 0.93 SLC6A3 (0.52) PLGSLC6A3KLK5ST14PCSK9
SCHEMBL29865959 0.93 SLC6A3 (0.52) PLGSLC6A3KLK5ST14PCSK9
SCHEMBL29773738 0.92 PLG (0.52) PLGGABBR2GABBR1HDAC3HDAC1
SCHEMBL30928172 0.90 PLG (0.49) PLGKLK5HDAC3HDAC1HDAC2
SCHEMBL30038886 0.90 PLG (0.49) PLGHDAC3HDAC1HDAC2HDAC10
SCHEMBL21303808 0.90 PLG (0.49) PLGKLK5HDAC3HDAC1HDAC2
SCHEMBL29884013 0.90 PLG (0.49) PLGKLK5HDAC3HDAC1HDAC2
SCHEMBL29740322 0.90 PLG (0.49) PLGKLK5HDAC3HDAC1HDAC2

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
CN-114990020-B Biocontrol strain and application thereof 湖北省农业科学院中药材研究所 2023-01-31 — — CN disclosed
CN-114990020-A Biocontrol strain and application thereof 湖北省农业科学院中药材研究所 2022-09-02 — — CN disclosed
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