SCHEMBL1700852

SCHEMBL1700852

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
LMNA P02545 2/20 0.38
USP2 O75604 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TGFBR1 P36897 1/20 0.35
PTGS1 P23219 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.30
DPP7 Q9UHL4 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
SCHEMBL1700635 0.94 PDE4A (0.42) PDE4ALMNAUSP2MEN1ALDH1A1
SCHEMBL9321565 0.86 PDE4A (0.52) PDE4ALMNAUSP2MEN1ALDH1A1
SCHEMBL8991473 0.86 PDE4A (0.52) PDE4ALMNAUSP2MEN1ALDH1A1
SCHEMBL9323008 0.82 PDE4A (0.52) PDE4ALMNAUSP2MEN1ALDH1A1
SCHEMBL14690715 0.81 KDM4E (0.44) PDE4ALMNAUSP2MEN1ALDH1A1
SCHEMBL13727651 0.81 PDE4A (0.47) PDE4ALMNAUSP2MEN1ALDH1A1
SCHEMBL8762542 0.81 PDE4A (0.50) PDE4ALMNAUSP2MEN1ALDH1A1
SCHEMBL3517791 0.81 PDE4A (0.50) PDE4ALMNAUSP2MEN1ALDH1A1
SCHEMBL3517475 0.81 PDE4A (0.50) PDE4ALMNAUSP2MEN1ALDH1A1
SCHEMBL8763069 0.81 PDE4A (0.50) PDE4ALMNAUSP2MEN1ALDH1A1

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 11 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
WO-2012156059-A1 UTILIZATION OF MAGNETIC NANOPARTICLES AS INTRACELLULAR PULL-DOWN SYSTEM UNIVERSITÄT BAYREUTH (DE) 2012-11-22 WO disclosed
WO-2012156058-A1 NON-VIRAL TRANSFECTION SYSTEMS UNIVERSITÄT BAYREUTH (DE) 2012-11-22 WO disclosed
EP-2522689-A1 Non-viral transfection systems Universität Bayreuth (DE) 2012-11-14 EP disclosed
EP-2523002-A1 Utilization of magnetic nanoparticles as intracellular pull-down system Universität Bayreuth (DE) 2012-11-14 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