SCHEMBL6200922

SCHEMBL6200922

CC(C)(C)OC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.52
KLK5 Q9Y337 2/20 0.52
MAPT P10636 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
TLR2 O60603 1/20 0.48
TLR1 Q15399 1/20 0.48
KMT2A Q03164 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
SIRT1 Q96EB6 3/20 0.47
SIRT2 Q8IXJ6 3/20 0.47
SIRT3 Q9NTG7 2/20 0.47

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
SCHEMBL6202810 0.95 SIRT2 (0.53) KLK7KLK5MAPTHDAC1HDAC2
SCHEMBL29387849 0.93 KLK7 (0.54) KLK7KLK5MAPTHDAC1HDAC2
SCHEMBL29942889 0.92 KLK7 (0.53) KLK7KLK5MAPTTLR2TLR1
SCHEMBL20529968 0.92 KLK7 (0.53) KLK7KLK5MAPTTLR2TLR1
SCHEMBL29521232 0.92 KLK7 (0.54) KLK7KLK5MAPTHDAC1HDAC2
SCHEMBL30266749 0.92 KLK7 (0.51) KLK7KLK5MAPTHDAC1HDAC2
SCHEMBL28434464 0.92 KLK7 (0.51) KLK7KLK5MAPTHDAC1HDAC2
SCHEMBL30266783 0.92 KLK7 (0.51) KLK7KLK5MAPTHDAC1HDAC2
SCHEMBL28443557 0.92 KLK7 (0.51) KLK7KLK5MAPTHDAC1HDAC2
SCHEMBL30266828 0.92 KLK7 (0.51) KLK7KLK5MAPTHDAC1HDAC2

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