SCHEMBL5020129

SCHEMBL5020129

CCOC(=O)[C@H](CS)NC(=O)CNC(=O)CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.42
PSMB5 P28074 1/20 0.42
POLB P06746 1/20 0.42
CAD P27708 1/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.33
CPB2 Q96IY4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOD1 Q9Y239 2/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL5020127 0.88 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCADGAA
SCHEMBL4984189 0.83 L3MBTL1 (0.46) L3MBTL1KMT2APOLBCADGAA
SCHEMBL5058848 0.83 L3MBTL1 (0.61) L3MBTL1KMT2APOLBCADGAA
SCHEMBL15158367 0.81 PSMB5 (0.45) KMT2APSMB5POLBMEN1KDM4E
SCHEMBL10530552 0.80 PSMB5 (0.46) L3MBTL1KMT2APSMB5POLBCAD
SCHEMBL4984212 0.79 L3MBTL1 (0.43) L3MBTL1KMT2APOLBCADGAA
SCHEMBL29543223 0.78 L3MBTL1 (0.47) L3MBTL1KMT2APOLBCADGAA
SCHEMBL2140677 0.78 KMT2A (0.53) L3MBTL1KMT2APOLBCADGAA
SCHEMBL4537405 0.78 METAP2 (0.43) L3MBTL1KMT2APSMB5POLBCAD
SCHEMBL7620116 0.78 METAP2 (0.43) L3MBTL1KMT2APSMB5POLBCAD

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
WO-2012065102-A2 S-T-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed