SCHEMBL15976230

SCHEMBL15976230

CC(=O)OCC1O[C@@H](NC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@@H](C)C(O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.46
▸ MDM4 O15151 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ CASP3 P42574 3/20 0.44
▸ TLR2 O60603 2/20 0.41
▸ MDM2 Q00987 3/20 0.41
▸ SLC17A5 Q9NRA2 1/20 0.40

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
SCHEMBL16348266 0.90 TNF (0.46) TNFMDM4TP53CASP3TLR2
SCHEMBL16774592 0.83 TNF (0.45) TNFMDM4TP53CASP3
SCHEMBL6044028 0.83 LMNA (0.50) TNFMDM4TP53CASP3MDM2
SCHEMBL17742420 0.80 CD209 (0.49) TNFMDM4TP53CASP3TLR2
SCHEMBL13163903 0.80 PRKCA (0.47) TNF
SCHEMBL13163947 0.79 PYGB (0.44) TNFMDM4TP53CASP3
SCHEMBL13184036 0.79 PYGB (0.44) TNFMDM4TP53CASP3
SCHEMBL30781815 0.79 CASP3 (0.54) MDM4TP53CASP3TLR2MDM2
SCHEMBL14402257 0.78 LMNA (0.42) TNFCASP3
SCHEMBL13904007 0.77 PRKCA (0.45) TNFMDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816050-B2 Method of preparing glycopeptides THE SCRIPPS RESEARCH INSTITUTE 2014-08-26 — — US disclosed
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