SCHEMBL1700959

SCHEMBL1700959

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.40
USP2 O75604 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.33
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL1700876 0.94 ZDHHC20 (0.42) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL16316374 0.86 PDE4A (0.56) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL8939170 0.86 PDE4A (0.56) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL6688746 0.81 PDE4A (0.47) PDE4ALMNAALDH1A1USP2TDP1
SCHEMBL27655741 0.81 PDE4A (0.47) PDE4ALMNAALDH1A1USP2TDP1
SCHEMBL25014974 0.81 PDE4A (0.50) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL8864143 0.80 PDE4A (0.46) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL2297999 0.80 PDE4A (0.48) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL9323008 0.79 PDE4A (0.52) PDE4ALMNAALDH1A1USP2MEN1
SCHEMBL8018571 0.79 USP2 (0.65) 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