SCHEMBL1700697

SCHEMBL1700697

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
KMT2A Q03164 1/20 0.31
PDE4A P27815 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL1701004 0.92 KDM4E (0.36) KDM4EUSP2SLCO1B1PDE4ALMNA
SCHEMBL18102799 0.81 ZDHHC20 (0.42) KDM4EUSP2SLCO1B1PDE4ALMNA
SCHEMBL1700812 0.78 KDM4E (0.33) KDM4EUSP2SLCO1B1
SCHEMBL1701008 0.77 KDM4E (0.43) KDM4EUSP2SLCO1B1PDE4ALMNA
SCHEMBL10337937 0.76 KDM4E (0.54) KDM4EUSP2SLCO1B1PDE4ALMNA
SCHEMBL18102798 0.76 PAOX (0.44) KDM4EUSP2SLCO1B1PDE4ALMNA
SCHEMBL1700597 0.75 KDM4E (0.34) KDM4EUSP2SLCO1B1PDE4ALMNA
SCHEMBL22096301 0.74 KDM4E (0.42) KDM4EUSP2SLCO1B1KMT2APDE4A
SCHEMBL22096293 0.74 MEN1 (0.48) KDM4EUSP2SLCO1B1KMT2APDE4A
SCHEMBL22096294 0.70 KDM4E (0.39) KDM4EUSP2PDE4ALMNAL3MBTL1

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