SCHEMBL8331345

SCHEMBL8331345

COC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](COCc2ccccc2)O[C@H](OCc2ccccc2)[C@@H]1NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ SSTR5 P35346 5/20 0.44
▸ SSTR3 P32745 4/20 0.44
▸ SSTR4 P31391 2/20 0.44
▸ SSTR2 P30874 2/20 0.44
▸ SSTR1 P30872 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAG P20916 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ PTPN1 P18031 2/20 0.42
▸ CDC25B P30305 1/20 0.42
▸ PTPN2 P17706 1/20 0.41
▸ MCHR1 Q99705 4/20 0.41
▸ TACR2 P21452 1/20 0.41

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
SCHEMBL8332378 0.94 POLB (0.46) POLBSSTR5SSTR3SSTR4SSTR2
SCHEMBL8331347 0.92 POLB (0.49) POLBLMNAKMT2AL3MBTL1TP53
SCHEMBL11268177 0.91 MAPK1 (0.53) POLBLMNAKMT2AL3MBTL1MAG
SCHEMBL11271837 0.90 POLB (0.44) POLBSSTR5SSTR3SSTR4SSTR2
SCHEMBL5840823 0.88 SSTR5 (0.52) POLBSSTR5SSTR3SSTR4SSTR2
SCHEMBL22053387 0.88 SSTR5 (0.52) POLBSSTR5SSTR3SSTR4SSTR2
SCHEMBL5840827 0.88 SSTR5 (0.52) POLBSSTR5SSTR3SSTR4SSTR2
SCHEMBL5841004 0.88 SSTR5 (0.52) POLBSSTR5SSTR3SSTR4SSTR2
SCHEMBL5840925 0.88 SSTR5 (0.52) POLBSSTR5SSTR3SSTR4SSTR2
SCHEMBL5841003 0.88 SSTR5 (0.52) POLBSSTR5SSTR3SSTR4SSTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3289078-A1 CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS AUTOLYSIN E, METHOD OF PRODUCING THE CRYSTAL AND ITS USE IN SCREENING METHODS J. Stefan Institute (SI) 2018-03-07 — — EP disclosed
WO-2016173603-A1 CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS AUTOLYSIN E, METHOD OF PRODUCING THE CRYSTAL AND ITS USE IN SCREENING METHODS J. STEFAN INSTITUTE (SI) 2016-11-03 — — WO disclosed
US-6008333-A Preparation of glucosaminyl muramic acid derivatives ENDOREX CORPORATION (US) 1999-12-28 — — US disclosed
US-5750665-A Preparation of glucosaminyl muramic acid derivatives ENDOREX CORPORATION 1998-05-12 — — US disclosed
Send feedback