SCHEMBL6202810

SCHEMBL6202810

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

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 8/20 0.53
KLK7 P49862 2/20 0.50
KLK5 Q9Y337 2/20 0.50
KMT2A Q03164 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
SIRT1 Q96EB6 6/20 0.47
TPSAB1 Q15661 1/20 0.47
SIRT3 Q9NTG7 2/20 0.46
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46
MAPT P10636 1/20 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
SCHEMBL6200922 0.95 KLK7 (0.52) SIRT2KLK7KLK5KMT2AHDAC1
SCHEMBL29387849 0.88 KLK7 (0.54) SIRT2KLK7KLK5KMT2AHDAC1
SCHEMBL20530072 0.88 KMT2A (0.54) SIRT2KLK7KLK5KMT2ATLR2
SCHEMBL20530075 0.88 KMT2A (0.54) SIRT2KLK7KLK5KMT2ATLR2
SCHEMBL29521232 0.87 KLK7 (0.54) KLK7KLK5KMT2AHDAC1HDAC2
SCHEMBL20529968 0.87 KLK7 (0.53) SIRT2KLK7KLK5KMT2ASIRT1
SCHEMBL29942889 0.87 KLK7 (0.53) SIRT2KLK7KLK5KMT2ASIRT1
SCHEMBL30266749 0.87 KLK7 (0.51) KLK7KLK5KMT2AHDAC1HDAC2
SCHEMBL30266828 0.87 KLK7 (0.51) KLK7KLK5KMT2AHDAC1HDAC2
SCHEMBL28443557 0.87 KLK7 (0.51) KLK7KLK5KMT2AHDAC1HDAC2

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