SCHEMBL1700812

SCHEMBL1700812

NC(=O)/C=C\C(=O)N(CCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31

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
SCHEMBL1700597 0.92 KDM4E (0.34) KDM4EUSP2SLCO1B1
SCHEMBL1700697 0.78 KDM4E (0.34) KDM4EUSP2SLCO1B1
SCHEMBL1701004 0.75 KDM4E (0.36) KDM4EUSP2SLCO1B1
SCHEMBL11672048 0.71 KDM4E (0.50) KDM4EUSP2SLCO1B1
SCHEMBL22321695 0.71 KDM4E (0.50) KDM4EUSP2SLCO1B1
SCHEMBL10337937 0.71 KDM4E (0.54) KDM4EUSP2SLCO1B1
SCHEMBL11672810 0.70 KDM4E (0.42) KDM4E
SCHEMBL8191778 0.70 KDM4E (0.47) KDM4E
SCHEMBL9418921 0.69 ITGB2 (0.34)
SCHEMBL9418918 0.69 ITGB2 (0.34)

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