SCHEMBL11281689

SCHEMBL11281689

CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@H]([C@H]2COC(C)(C)O2)[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MAG P20916 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ PKM P14618 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HRAS P01112 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35

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
SCHEMBL5308210 0.92 L3MBTL1 (0.54) L3MBTL1MAGALDH1A1PKMPOLB
SCHEMBL1836110 0.92 L3MBTL1 (0.54) L3MBTL1MAGALDH1A1PKMPOLB
SCHEMBL13953444 0.85 MEN1 (0.39) L3MBTL1KMT2ATMEM97SIGMAR1
SCHEMBL8720842 0.85 MEN1 (0.39) L3MBTL1KMT2ATMEM97SIGMAR1
SCHEMBL11123573 0.84 L3MBTL1 (0.51) L3MBTL1MAGALDH1A1POLBKMT2A
SCHEMBL15012280 0.83 L3MBTL1 (0.46) L3MBTL1ALDH1A1
SCHEMBL10832365 0.83 L3MBTL1 (0.45) L3MBTL1MAGALDH1A1PKMTMEM97
SCHEMBL16146024 0.82 L3MBTL1 (0.45) L3MBTL1MAGALDH1A1PKMTMEM97
SCHEMBL11269209 0.81 L3MBTL1 (0.44) L3MBTL1MAGKMT2A
SCHEMBL8822994 0.80 L3MBTL1 (0.50) L3MBTL1MAGKMT2AHRASTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4310514-A VACCINES MERCK & CO., INC. (US) 1982-01-12 — — US disclosed
EP-0039637-A1 Immunologically active dipeptidyl 5-0,6-0-acyl-2-amino-2-deoxy-D-glucofuranose derivatives and methods of preparation MERCK & CO. INC. (US) 1981-11-11 — — EP disclosed
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