SCHEMBL1700686

SCHEMBL1700686

C=COCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1700844 0.90 KDM4E (0.39) KDM4ELMNAL3MBTL1TDP1
SCHEMBL8378527 0.80 KDM4E (0.50) KDM4ELMNAL3MBTL1TDP1
SCHEMBL29289096 0.80 KDM4E (0.50) KDM4ELMNAL3MBTL1TDP1
SCHEMBL11406784 0.77 KDM4E (0.45) KDM4ELMNAL3MBTL1TDP1
SCHEMBL11405516 0.77 KDM4E (0.45) KDM4ELMNAL3MBTL1TDP1
SCHEMBL16775495 0.75 KDM4E (0.44) KDM4ELMNAL3MBTL1TDP1
SCHEMBL12215795 0.74 PDE4A (0.41) KDM4ELMNAL3MBTL1TDP1
Mannitol SCHEMBL22613565 0.74 LMNA (0.44) KDM4ELMNAL3MBTL1TDP1
SCHEMBL19873268 0.74 KDM4E (0.47) KDM4ELMNAL3MBTL1TDP1
SCHEMBL16357689 0.74 KDM4E (0.42) KDM4ELMNAL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582761-A1 AQUEOUS BINDING AGENT COMPOSITIONS BASF SE (DE) 2013-04-24 EP claimed
US-20110312240-A1 AQUEOUS BINDER COMPOSITIONS BASF SE (DE) 2011-12-22 US claimed
WO-2011157792-A1 AQUEOUS BINDING AGENT COMPOSITIONS BASF SE (DE) 2011-12-22 WO claimed
EP-2582761-B1 AQUEOUS BINDING AGENT COMPOSITIONS BASF SE (DE) 2015-03-18 EP disclosed
EP-2582761-A1 AQUEOUS BINDING AGENT COMPOSITIONS BASF SE (DE) 2013-04-24 EP disclosed
US-20110312240-A1 AQUEOUS BINDER COMPOSITIONS BASF SE (DE) 2011-12-22 US disclosed
WO-2011157792-A1 AQUEOUS BINDING AGENT COMPOSITIONS BASF SE (DE) 2011-12-22 WO disclosed