SCHEMBL1700717

SCHEMBL1700717

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
TGFBR1 P36897 1/20 0.37
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4A P27815 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33

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
SCHEMBL2590941 0.85 KDM4E (0.48) KDM4ETGFBR1LMNAL3MBTL1PDE4A
SCHEMBL9172286 0.82 KDM4E (0.44) KDM4ETGFBR1LMNAL3MBTL1PDE4A
SCHEMBL1700635 0.81 PDE4A (0.42) KDM4ETGFBR1LMNAL3MBTL1PDE4A
SCHEMBL21552436 0.77 PDE4A (0.41) KDM4ETGFBR1LMNAL3MBTL1PDE4A
SCHEMBL7055018 0.76 CYP2C19 (0.39) KDM4ETGFBR1L3MBTL1SMN1; SMN2
SCHEMBL1700852 0.76 PDE4A (0.40) KDM4ETGFBR1LMNAL3MBTL1PDE4A
SCHEMBL29026967 0.76 KDM4E (0.46) KDM4ETGFBR1LMNAL3MBTL1PDE4A
SCHEMBL30480814 0.76 KDM4E (0.46) KDM4ETGFBR1LMNAL3MBTL1PDE4A
SCHEMBL16267884 0.75 TGFBR1 (0.38) KDM4ETGFBR1SMN1; SMN2TDP1USP2
SCHEMBL18102798 0.74 PAOX (0.44) KDM4ELMNAL3MBTL1PDE4ASMN1; SMN2

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