SCHEMBL11268177

SCHEMBL11268177

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.53
▸ MAG P20916 1/20 0.51
▸ LGALS8 O00214 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ POLB P06746 2/20 0.45
▸ LGALS3 P17931 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HRAS P01112 1/20 0.43
▸ LGALS1 P09382 1/20 0.43
▸ LGALS7; LGALS7B P47929 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL7155841 0.92 MAPK1 (0.64) MAPK1MAGLGALS8ALDH1A1THRB
SCHEMBL7155850 0.92 MAPK1 (0.64) MAPK1MAGLGALS8ALDH1A1THRB
SCHEMBL8331345 0.91 POLB (0.46) MAPK1MAGPOLBL3MBTL1LMNA
SCHEMBL11271837 0.88 POLB (0.44) MAPK1MAGPOLBL3MBTL1LMNA
SCHEMBL5841546 0.87 MAG (0.55) MAPK1MAGLGALS8POLBLGALS3
SCHEMBL22204678 0.87 MAG (0.55) MAPK1MAGLGALS8POLBLGALS3
SCHEMBL5841001 0.87 MAG (0.55) MAPK1MAGLGALS8POLBLGALS3
SCHEMBL5841006 0.87 MAG (0.55) MAPK1MAGLGALS8POLBLGALS3
SCHEMBL15514179 0.87 MAPK1 (0.49) MAPK1MAGLGALS8ALDH1A1THRB
SCHEMBL15514180 0.87 MAPK1 (0.49) MAPK1MAGLGALS8ALDH1A1THRB

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
EP-0015468-B1 6-DEOXYGLUCOSAMINE-PEPTIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-29 — — EP disclosed
US-4314998-A 6-Deoxyglucosamine-peptide derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-09 — — US disclosed
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