SCHEMBL7572891

SCHEMBL7572891

COc1ccc(C2OC[C@H]3O[C@H](OCc4ccccc4)[C@H](NC(C)=O)[C@@H](O)[C@H]3O2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.69
▸ L3MBTL1 Q9Y468 3/20 0.67
▸ ALDH1A1 P00352 3/20 0.60
▸ PKM P14618 1/20 0.60
▸ MEN1 O00255 1/20 0.49
▸ SELP P16109 1/20 0.36
▸ MAG P20916 1/20 0.36
▸ HRAS P01112 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SLC5A2 P31639 1/20 0.34

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
SCHEMBL10541712 0.93 L3MBTL1 (0.77) KMT2AL3MBTL1ALDH1A1PKMMEN1
SCHEMBL8931473 0.93 L3MBTL1 (0.77) KMT2AL3MBTL1ALDH1A1PKMMEN1
SCHEMBL15514841 0.93 L3MBTL1 (0.77) KMT2AL3MBTL1ALDH1A1PKMMEN1
SCHEMBL7570170 0.93 L3MBTL1 (0.77) KMT2AL3MBTL1ALDH1A1PKMMEN1
SCHEMBL2341511 0.93 L3MBTL1 (0.77) KMT2AL3MBTL1ALDH1A1PKMMEN1
SCHEMBL6810084 0.93 L3MBTL1 (0.77) KMT2AL3MBTL1ALDH1A1PKMMEN1
SCHEMBL10542231 0.93 L3MBTL1 (0.77) KMT2AL3MBTL1ALDH1A1PKMMEN1
SCHEMBL20591189 0.86 L3MBTL1 (0.66) KMT2AL3MBTL1ALDH1A1PKMMEN1
SCHEMBL26123890 0.86 KMT2A (0.81) KMT2AL3MBTL1ALDH1A1PKMMEN1
SCHEMBL15515027 0.86 L3MBTL1 (0.66) KMT2AL3MBTL1ALDH1A1PKMMEN1

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-0788504-B1 STEREODIRECTED PROCESS FOR SYNTHESIS OF ALPHA-N-ACETYLGALACTOSAMINIDES BIOMIRA INC (CA) 2002-09-04 — — EP disclosed
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