SCHEMBL22607623

SCHEMBL22607623

COC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@@H](OCc2ccccc2)O[C@@H]2COC(c3ccccc3)O[C@@H]12

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.74
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ SELP P16109 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ PKM P14618 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 2/20 0.35
▸ MAG P20916 1/20 0.35
▸ BCHE P06276 2/20 0.34
▸ TACR1 P25103 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
SCHEMBL14612249 1.00 L3MBTL1 (0.74) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL14410823 1.00 L3MBTL1 (0.74) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL11599050 1.00 L3MBTL1 (0.74) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL8334325 0.95 L3MBTL1 (0.74) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL8574109 0.95 L3MBTL1 (0.74) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL8332499 0.93 L3MBTL1 (0.77) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL6833949 0.93 L3MBTL1 (0.77) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL15513804 0.93 L3MBTL1 (0.77) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL10542172 0.93 L3MBTL1 (0.77) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL8571903 0.93 L3MBTL1 (0.77) L3MBTL1KMT2AMEN1SELPALDH1A1

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-3289078-B1 CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS AUTOLYSIN E, METHOD OF PRODUCING THE CRYSTAL AND ITS USE IN SCREENING METHODS J STEFAN INST (SI) 2020-11-04 — — EP disclosed
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