SCHEMBL9211388

SCHEMBL9211388

CO[C@@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](O[C@@H]2O[C@@H](C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H]1NC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.66
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ SELP P16109 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ PKM P14618 1/20 0.37
▸ LGALS3 P17931 3/20 0.35
▸ LGALS7; LGALS7B P47929 2/20 0.35
▸ LGALS1 P09382 1/20 0.35
▸ PTPN1 P18031 2/20 0.34
▸ PTPN2 P17706 1/20 0.34
▸ LGALS9 O00182 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ MAG P20916 1/20 0.33
▸ LMNA P02545 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
SCHEMBL8931463 0.95 L3MBTL1 (0.73) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL9218752 0.90 L3MBTL1 (0.63) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL8931477 0.89 L3MBTL1 (0.60) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL8931484 0.89 L3MBTL1 (0.60) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL12302611 0.86 L3MBTL1 (0.57) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL5841335 0.85 L3MBTL1 (0.89) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL5841072 0.85 L3MBTL1 (0.89) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL19895598 0.82 L3MBTL1 (0.53) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL22227390 0.82 L3MBTL1 (0.53) L3MBTL1KMT2AMEN1SELPALDH1A1
SCHEMBL7148916 0.82 L3MBTL1 (0.67) 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
WO-1995000527-A1 FUCOSYLATED GLYCOSIDES AS INHIBITORS OF BACTERIAL ADHERENCE ASTRA AKTIEBOLAG (SE) 1995-01-05 — — WO disclosed
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