SCHEMBL16112812

SCHEMBL16112812

CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.58
▸ MDM2 Q00987 4/20 0.50
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ TLR1 Q15399 1/20 0.43

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
SCHEMBL31688554 0.99 TLR2 (0.59) TLR2MDM2MDM4TP53KMT2A
SCHEMBL16048758 0.94 TLR2 (0.51) TLR2MDM2MDM4TP53KMT2A
SCHEMBL16048760 0.94 TLR2 (0.51) TLR2MDM2MDM4TP53KMT2A
SCHEMBL12254867 0.94 TLR2 (0.57) TLR2MDM2MDM4TP53KMT2A
SCHEMBL31370078 0.93 TLR2 (0.56) TLR2MDM2MDM4TP53KMT2A
SCHEMBL20561672 0.93 TLR2 (0.52) TLR2MDM2MDM4TP53KMT2A
SCHEMBL30895488 0.93 TLR2 (0.52) TLR2MDM2MDM4TP53KMT2A
SCHEMBL20561674 0.93 TLR2 (0.52) TLR2MDM2MDM4TP53KMT2A
SCHEMBL32670249 0.93 TLR2 (0.52) TLR2MDM2MDM4TP53KMT2A
SCHEMBL30895547 0.93 TLR2 (0.52) TLR2MDM2MDM4TP53KMT2A

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-2968599-A1 LIGAND-THERAPEUTIC AGENT CONJUGATES AND SILICON-BASED LINKERS Albany Molecular Research, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014160305-A1 LIGAND-THERAPEUTIC AGENT CONJUGATES AND SILICON-BASED LINKERS ALBANY MOLECULAR RESEARCH, INC. (US) 2014-10-02 — — WO disclosed
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