SCHEMBL4600667

SCHEMBL4600667

CCCCOC(=O)NCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.60
▸ KMT2A Q03164 1/20 0.53
▸ MDM2 Q00987 4/20 0.52
▸ TNF P01375 2/20 0.49
▸ MDM4 O15151 1/20 0.49
▸ TP53 P04637 1/20 0.49

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
SCHEMBL4600248 0.95 TLR2 (0.59) TLR2KMT2AMDM2TNFMDM4
SCHEMBL8354047 0.94 TLR2 (0.58) TLR2KMT2AMDM2TNFMDM4
SCHEMBL178804 0.91 KMT2A (0.60) TLR2KMT2AMDM2MDM4TP53
SCHEMBL3487948 0.91 KMT2A (0.60) TLR2KMT2AMDM2MDM4TP53
SCHEMBL29528781 0.91 KMT2A (0.60) TLR2KMT2AMDM2MDM4TP53
SCHEMBL178805 0.91 KMT2A (0.60) TLR2KMT2AMDM2MDM4TP53
SCHEMBL29401303 0.91 KMT2A (0.60) TLR2KMT2AMDM2MDM4TP53
SCHEMBL5202723 0.90 TLR2 (0.59) TLR2KMT2AMDM2TNFMDM4
SCHEMBL26310450 0.89 KMT2A (0.58) TLR2KMT2AMDM2MDM4TP53
SCHEMBL3197099 0.87 MDM2 (0.54) TLR2KMT2AMDM2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 — — WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 — — EP disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 — — WO disclosed
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