SCHEMBL1700876

SCHEMBL1700876

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
PDE4A P27815 1/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.38
USP2 O75604 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
TGM2 P21980 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.32
PTGS1 P23219 1/20 0.30
KCNH2 Q12809 1/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A2 O94788 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
SCHEMBL1700959 0.94 PDE4A (0.43) ZDHHC20ZDHHC2PDE4ALMNAALDH1A1
SCHEMBL9321565 0.87 PDE4A (0.52) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL8991473 0.87 PDE4A (0.52) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL9323008 0.84 PDE4A (0.52) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL8855888 0.82 PDE4A (0.39) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL13727651 0.82 PDE4A (0.47) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL8762542 0.82 PDE4A (0.50) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL3517791 0.82 PDE4A (0.50) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL3517475 0.82 PDE4A (0.50) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL8763289 0.82 PDE4A (0.50) PDE4ALMNAALDH1A1USP2MEN1

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