SCHEMBL1701008

SCHEMBL1701008

CNC(=O)/C=C\C(=O)NCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.33
PDE4A P27815 1/20 0.33
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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 0.85 KDM4E (0.36) KDM4EPDE4ALMNAL3MBTL1TDP1
SCHEMBL1700697 0.77 KDM4E (0.34) KDM4EPDE4ALMNAL3MBTL1USP2
SCHEMBL6515239 0.73 PDE4A (0.46) KDM4ESMN1; SMN2PDE4ALMNAL3MBTL1
SCHEMBL1700717 0.73 KDM4E (0.42) KDM4ESMN1; SMN2PDE4ALMNAL3MBTL1
SCHEMBL23506538 0.72 KDM4E (0.63) KDM4ESMN1; SMN2PDE4ALMNAL3MBTL1
SCHEMBL8527359 0.72 KDM4E (0.47) KDM4ESMN1; SMN2PDE4ALMNAL3MBTL1
SCHEMBL18102799 0.72 ZDHHC20 (0.42) KDM4EPDE4ALMNAL3MBTL1TDP1
SCHEMBL25943021 0.71 TDP1 (0.46) KDM4ETDP1
SCHEMBL25381181 0.69 ALDH1A1 (0.42) USP2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18102798 0.69 PAOX (0.44) KDM4ESMN1; SMN2PDE4ALMNAL3MBTL1

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