SCHEMBL5983237

SCHEMBL5983237

CCCCOC(=O)N[C@@H](CCCC(N)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.54
▸ MDM2 Q00987 6/20 0.51
▸ NOD1 Q9Y239 1/20 0.47
▸ TNF P01375 2/20 0.46
▸ MDM4 O15151 1/20 0.46
▸ TP53 P04637 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
SCHEMBL5983241 1.00 TLR2 (0.54) TLR2MDM2NOD1TNFMDM4
SCHEMBL1740478 0.91 MDM2 (0.54) TLR2MDM2MDM4TP53
SCHEMBL14920476 0.86 MDM2 (0.55) TLR2MDM2MDM4TP53
SCHEMBL29503829 0.86 TLR2 (0.62) TLR2MDM2TNFMDM4TP53
SCHEMBL7420121 0.86 TLR2 (0.62) TLR2MDM2TNFMDM4TP53
SCHEMBL1044856 0.86 TLR2 (0.62) TLR2MDM2TNFMDM4TP53
SCHEMBL30645689 0.86 TLR2 (0.62) TLR2MDM2TNFMDM4TP53
SCHEMBL1000115 0.86 TLR2 (0.62) TLR2MDM2TNFMDM4TP53
SCHEMBL29382791 0.86 TLR2 (0.62) TLR2MDM2TNFMDM4TP53
SCHEMBL29367120 0.86 TLR2 (0.62) TLR2MDM2TNFMDM4TP53

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
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 — — EP disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 — — WO disclosed
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