SCHEMBL16628842

SCHEMBL16628842

CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
TP53 P04637 2/20 0.51
MDM2 Q00987 2/20 0.51
POLB P06746 1/20 0.50
MDM4 O15151 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
NT5E P21589 1/20 0.48
PTPN1 P18031 9/20 0.47
CDC25B P30305 8/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPN2 P17706 4/20 0.46
PTPN6 P29350 4/20 0.46
PTPN11 Q06124 4/20 0.46
TACR2 P21452 1/20 0.46
BCHE P06276 1/20 0.44

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
SCHEMBL16628841 1.00 L3MBTL1 (0.58) L3MBTL1TP53MDM2POLBMDM4
SCHEMBL15514084 0.95 TP53 (0.55) L3MBTL1TP53MDM2POLBMDM4
SCHEMBL5840884 0.95 TP53 (0.55) L3MBTL1TP53MDM2POLBMDM4
SCHEMBL16967451 0.95 TP53 (0.55) L3MBTL1TP53MDM2POLBMDM4
SCHEMBL5840927 0.95 TP53 (0.55) L3MBTL1TP53MDM2POLBMDM4
SCHEMBL967053 0.92 TP53 (0.50) L3MBTL1TP53MDM2POLBMDM4
SCHEMBL967054 0.92 TP53 (0.50) L3MBTL1TP53MDM2POLBMDM4
SCHEMBL7582210 0.92 TP53 (0.55) L3MBTL1TP53MDM2POLBMDM4
SCHEMBL11173059 0.91 TP53 (0.52) L3MBTL1TP53MDM2POLBMDM4
SCHEMBL13491599 0.91 POLB (0.52) L3MBTL1TP53MDM2POLBMDM4

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-2578598-B1 Componds derived from normuramyldipeptide IMUTHES LTD (GB) 2015-04-15 EP disclosed