SCHEMBL11123573

SCHEMBL11123573

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAG P20916 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HCRTR2 O43614 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ KLK7 P49862 1/20 0.32
▸ KLK5 Q9Y337 1/20 0.32
▸ HCRTR1 O43613 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
SCHEMBL9473154 0.93 L3MBTL1 (0.53) L3MBTL1MAGPOLBMAPK1LMNA
SCHEMBL10947656 0.86 L3MBTL1 (0.52) L3MBTL1MAGPOLBMAPK1LMNA
SCHEMBL11281689 0.84 L3MBTL1 (0.50) L3MBTL1MAGPOLBKMT2AHCRTR2
SCHEMBL6833949 0.82 L3MBTL1 (0.77) L3MBTL1MAGPOLBMAPK1LMNA
SCHEMBL15513804 0.82 L3MBTL1 (0.77) L3MBTL1MAGPOLBMAPK1LMNA
SCHEMBL11565600 0.82 L3MBTL1 (0.77) L3MBTL1MAGPOLBMAPK1LMNA
SCHEMBL8571903 0.82 L3MBTL1 (0.77) L3MBTL1MAGPOLBMAPK1LMNA
SCHEMBL10542172 0.82 L3MBTL1 (0.77) L3MBTL1MAGPOLBMAPK1LMNA
SCHEMBL8332499 0.82 L3MBTL1 (0.77) L3MBTL1MAGPOLBMAPK1LMNA
SCHEMBL10545105 0.82 L3MBTL1 (0.77) L3MBTL1MAGPOLBMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0039637-B1 IMMUNOLOGICALLY ACTIVE DIPEPTIDYL 5-0,6-0-ACYL-2-AMINO-2-DEOXY-D-GLUCOFURANOSE DERIVATIVES AND METHODS OF PREPARATION MERCK & CO. INC. (US) 1984-03-28 — — EP disclosed
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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