SCHEMBL6199045

SCHEMBL6199045

CC(C)(C)OC(=O)NCCCCCC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 9/20 0.65
SIRT1 Q96EB6 6/20 0.65
FOLH1 Q04609 3/20 0.60
KLK7 P49862 2/20 0.57
KLK5 Q9Y337 2/20 0.57
SIRT3 Q9NTG7 2/20 0.56
MAPT P10636 1/20 0.56
TGM2 P21980 2/20 0.55
CAPN1 P07384 1/20 0.54
CAPN2 P17655 1/20 0.54
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
SYK P43405 1/20 0.53

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
SCHEMBL5328141 0.94 SIRT2 (0.66) SIRT2SIRT1FOLH1KLK7KLK5
SCHEMBL5328146 0.94 SIRT2 (0.66) SIRT2SIRT1FOLH1KLK7KLK5
SCHEMBL699636 0.93 FOLH1 (0.65) SIRT2SIRT1FOLH1KLK7KLK5
SCHEMBL1491720 0.93 FOLH1 (0.65) SIRT2SIRT1FOLH1KLK7KLK5
SCHEMBL2467817 0.93 FOLH1 (0.65) SIRT2SIRT1FOLH1KLK7KLK5
SCHEMBL29119131 0.90 SIRT2 (0.59) SIRT2SIRT1FOLH1KLK7KLK5
SCHEMBL29119136 0.90 SIRT2 (0.59) SIRT2SIRT1FOLH1KLK7KLK5
SCHEMBL1021938 0.90 SYK (0.60) SIRT2SIRT1FOLH1KLK7KLK5
SCHEMBL918813 0.90 SYK (0.60) SIRT2SIRT1FOLH1KLK7KLK5
SCHEMBL4958981 0.90 SYK (0.60) SIRT2SIRT1FOLH1KLK7KLK5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165532-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-01-12 EP disclosed
US-6503897-B1 N-Formylhydroxylamine derivatives; veterinary medicine; grampositive and gramnegative bacteria BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2003-01-07 US disclosed
EP-1165532-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-01-02 EP disclosed
WO-2000058294-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-10-05 WO disclosed