SCHEMBL4416199

SCHEMBL4416199

CCN(C(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.42
TP53 P04637 2/20 0.42
CASP3 P42574 4/20 0.41
KMT2A Q03164 2/20 0.39
SLC17A5 Q9NRA2 1/20 0.37
TLR2 O60603 1/20 0.37

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
SCHEMBL4416195 1.00 MDM4 (0.42) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL4406592 0.85 KIF11 (0.39) MDM4TP53KMT2A
SCHEMBL10312386 0.81 CASP3 (0.48) MDM4TP53CASP3KMT2A
SCHEMBL12510929 0.81 CASP3 (0.48) MDM4TP53CASP3KMT2A
SCHEMBL4406195 0.81 MDM4 (0.39) MDM4TP53KMT2A
SCHEMBL5998507 0.79 MDM4 (0.55) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL1738641 0.79 MDM4 (0.55) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL29395463 0.79 MDM4 (0.55) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL29503847 0.79 MDM4 (0.55) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL29560536 0.79 MDM4 (0.55) MDM4TP53CASP3KMT2ASLC17A5

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
EP-2085403-A1 PROCESS FOR PRODUCTION OF PEPTIDE THIOESTER TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2009-08-05 EP disclosed