SCHEMBL9218752

SCHEMBL9218752

CC(=O)N[C@H]1[C@H](OCCC(C)(C)C)O[C@@H]2COC(c3ccccc3)O[C@H]2[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.63
▸ SELP P16109 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ PKM P14618 1/20 0.33
▸ MAG P20916 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ MDM4 O15151 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL8931463 0.93 L3MBTL1 (0.73) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL9211388 0.90 L3MBTL1 (0.66) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL8931477 0.87 L3MBTL1 (0.60) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL8931484 0.87 L3MBTL1 (0.60) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL9219675 0.83 L3MBTL1 (0.53) L3MBTL1SELPMDM4TP53HSP90AA1
SCHEMBL5841335 0.83 L3MBTL1 (0.89) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL5841072 0.83 L3MBTL1 (0.89) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL12302611 0.83 L3MBTL1 (0.57) L3MBTL1SELPKMT2AMEN1ALDH1A1
SCHEMBL9211384 0.82 L3MBTL1 (0.42) L3MBTL1SELPKMT2AMEN1
SCHEMBL11469354 0.79 L3MBTL1 (0.85) L3MBTL1SELPKMT2AMEN1ALDH1A1

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-1995000527-A1 FUCOSYLATED GLYCOSIDES AS INHIBITORS OF BACTERIAL ADHERENCE ASTRA AKTIEBOLAG (SE) 1995-01-05 — — WO disclosed
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