SCHEMBL1303718

SCHEMBL1303718

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

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.41
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PDE4A P27815 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
AKR1B1 P15121 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL2295299 0.90 PAX8 (0.41) PAX8LMNAL3MBTL1KDM4EPDE4A
SCHEMBL5326303 0.90 PAX8 (0.41) PAX8LMNAL3MBTL1KDM4EPDE4A
SCHEMBL3419152 0.84 LMNA (0.39) PAX8LMNAL3MBTL1KDM4EPDE4A
SCHEMBL3419233 0.84 LMNA (0.39) PAX8LMNAL3MBTL1KDM4EPDE4A
SCHEMBL3421053 0.84 LMNA (0.39) PAX8LMNAL3MBTL1KDM4EPDE4A
SCHEMBL3421254 0.83 LMNA (0.38) PAX8LMNAL3MBTL1KDM4EPDE4A
SCHEMBL3414678 0.83 LMNA (0.38) PAX8LMNAL3MBTL1KDM4EPDE4A
SCHEMBL3421343 0.83 LMNA (0.38) PAX8LMNAL3MBTL1KDM4EPDE4A
SCHEMBL3414706 0.83 LMNA (0.38) PAX8LMNAL3MBTL1KDM4EPDE4A
SCHEMBL3415637 0.83 LMNA (0.38) PAX8LMNAL3MBTL1KDM4EPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807383-B1 FLAVOUR MODULATING SUBSTANCES GIVAUDAN NEDERLAND SERVICES BV (NL) 2011-11-30 EP disclosed
US-8053013-B2 Flavour modulating substances QUEST INTERNATIONAL SERVICES B.V. (NL) 2011-11-08 US disclosed
US-20070298151-A1 Flavour Modulating Substances QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-12-27 US disclosed
EP-1807383-A2 FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL B.V. (NL) 2007-07-18 EP disclosed
WO-2006046854-A2 FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL B.V. (NL) 2006-05-04 WO disclosed