SCHEMBL1774725

SCHEMBL1774725

N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)CC(O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
PAX8 Q06710 1/20 0.31
TET2 Q6N021 3/20 0.30
TET3 O43151 1/20 0.30
TET1 Q8NFU7 1/20 0.30

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
SCHEMBL17767400 0.83 PAX8 (0.36) PAX8
SCHEMBL17748583 0.81 PAX8 (0.36) USP2SLCO1B1PAX8
SCHEMBL17748555 0.81 PAX8 (0.34) PAX8
SCHEMBL5355000 0.81 PAX8 (0.37) USP2SLCO1B1PAX8
SCHEMBL20889 0.80 PAX8 (0.36) USP2SLCO1B1PAX8
SCHEMBL9807659 0.80 PAX8 (0.36) USP2SLCO1B1PAX8
SCHEMBL1775575 0.80 SMN1; SMN2 (0.34) SMN1; SMN2PAX8
SCHEMBL722958 0.80 PAX8 (0.32) PAX8
SCHEMBL7217304 0.79 PDE4A (0.47) SMN1; SMN2USP2PGK1PGK2SLCO1B1
SCHEMBL721030 0.78 TSHR (0.36) PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943598-B2 Use of organic glucosamine salts BIOIBERICA, S.A. (ES) 2011-05-17 US claimed
EP-1781304-B1 USE OF ORGANIC GLUCOSAMINE SALTS BIOIBERICA (ES) 2009-09-09 EP claimed
US-20070244070-A1 Use of Organic Glucosamine Salts BIOIBERICA, S.A. (ES) 2007-10-18 US claimed
EP-1781304-A1 USE OF ORGANIC GLUCOSAMINE SALTS BIOIBERICA, S.A. (ES) 2007-05-09 EP claimed
WO-2006012951-A1 USE OF ORGANIC GLUCOSAMINE SALTS BIOIBERICA, S.A. (ES) 2006-02-09 WO claimed
US-7943598-B2 Use of organic glucosamine salts BIOIBERICA, S.A. (ES) 2011-05-17 US disclosed
US-7943598-B2 Use of organic glucosamine salts BIOIBERICA, S.A. (ES) 2011-05-17 US disclosed
EP-1781304-B1 USE OF ORGANIC GLUCOSAMINE SALTS BIOIBERICA (ES) 2009-09-09 EP disclosed
EP-1781304-B1 USE OF ORGANIC GLUCOSAMINE SALTS BIOIBERICA (ES) 2009-09-09 EP disclosed
US-20070244070-A1 Use of Organic Glucosamine Salts BIOIBERICA, S.A. (ES) 2007-10-18 US disclosed
US-20070244070-A1 Use of Organic Glucosamine Salts BIOIBERICA, S.A. (ES) 2007-10-18 US disclosed
EP-1781304-A1 USE OF ORGANIC GLUCOSAMINE SALTS BIOIBERICA, S.A. (ES) 2007-05-09 EP disclosed
EP-1781304-A1 USE OF ORGANIC GLUCOSAMINE SALTS BIOIBERICA, S.A. (ES) 2007-05-09 EP disclosed
WO-2006012951-A1 USE OF ORGANIC GLUCOSAMINE SALTS BIOIBERICA, S.A. (ES) 2006-02-09 WO disclosed
WO-2006012951-A1 USE OF ORGANIC GLUCOSAMINE SALTS BIOIBERICA, S.A. (ES) 2006-02-09 WO disclosed