SCHEMBL9302990

SCHEMBL9302990

CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
ALDH1A1 P00352 1/20 0.56
THRB P10828 1/20 0.56
MAPK1 P28482 2/20 0.53
PYGB P11216 7/20 0.53
GAA P10253 1/20 0.53
CD69 Q07108 2/20 0.49

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
SCHEMBL9302995 1.00 CA1 (0.60) CA1CA2CA9ALDH1A1THRB
SCHEMBL14081291 0.90 ALDH1A1 (0.53) CA1CA2CA9ALDH1A1THRB
SCHEMBL25511170 0.90 ALDH1A1 (0.53) CA1CA2CA9ALDH1A1THRB
SCHEMBL16217717 0.90 ALDH1A1 (0.53) CA1CA2CA9ALDH1A1THRB
SCHEMBL13308253 0.89 PYGB (0.70) CA1CA2CA9ALDH1A1THRB
SCHEMBL14750544 0.88 PYGB (0.68) CA1CA2CA9ALDH1A1THRB
SCHEMBL18934182 0.88 PYGB (0.68) CA1CA2CA9ALDH1A1THRB
SCHEMBL16190468 0.88 PYGB (0.68) CA1CA2CA9ALDH1A1THRB
SCHEMBL16664307 0.88 CA1 (0.53) CA1CA2CA9ALDH1A1THRB
SCHEMBL468706 0.87 PYGB (0.67) CA1CA2CA9PYGBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606925-A2 A method for derivatizing a 1-amino-1-deoxyoligosaccharide Genzyme Corporation (US) 1994-07-20 EP disclosed
US-5324828-A Fluorescent compound GENZYME CORPORATION (US) 1994-06-28 US disclosed
US-5283353-A Enzymeric cleavage from glycoprotein GENZYME CORPORATION (US) 1994-02-01 US disclosed
EP-0299007-A4 PREPARATION OF 1-AMINO-1-DEOXYOLIGOSACCHARIDES AND DERIVATIVES THEREOF. GENZYME CORP (US) 1990-03-08 EP disclosed
EP-0299007-A1 PREPARATION OF 1-AMINO-1-DEOXYOLIGOSACCHARIDES AND DERIVATIVES THEREOF GENZYME CORPORATION (US) 1989-01-18 EP disclosed
WO-1988004323-A1 PREPARATION OF 1-AMINO-1-DEOXYOLIGOSACCHARIDES AND DERIVATIVES THEREOF GENZYME CORPORATION (US) 1988-06-16 WO disclosed