SCHEMBL1700635

SCHEMBL1700635

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
LMNA P02545 2/20 0.40
USP2 O75604 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TGFBR1 P36897 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
TSHR P16473 1/20 0.32
ANPEP P15144 1/20 0.30
DNPEP Q9ULA0 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
SCHEMBL1700852 0.94 PDE4A (0.40) PDE4ALMNAUSP2MEN1KMT2A
SCHEMBL16316374 0.85 PDE4A (0.56) PDE4ALMNAUSP2MEN1KMT2A
SCHEMBL8939170 0.85 PDE4A (0.56) PDE4ALMNAUSP2MEN1KMT2A
SCHEMBL31396233 0.83 PDE4A (0.47) PDE4ALMNAUSP2MEN1KMT2A
SCHEMBL21552436 0.83 PDE4A (0.41) PDE4ALMNAUSP2TGFBR1L3MBTL1
SCHEMBL28899590 0.82 PDE4A (0.46) PDE4ALMNAUSP2TGFBR1L3MBTL1
SCHEMBL18259773 0.82 PDE4A (0.46) PDE4ALMNAUSP2TGFBR1L3MBTL1
SCHEMBL1700717 0.81 KDM4E (0.42) PDE4ALMNAUSP2TGFBR1L3MBTL1
SCHEMBL8939100 0.80 KDM4E (0.47) PDE4ALMNAUSP2MEN1KMT2A
SCHEMBL12313466 0.80 KDM4E (0.47) PDE4ALMNAUSP2MEN1KMT2A

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-2794085-B1 MICROCAPSULE DISPERSION CONTAINING MICROCAPSULES HAVING A HYDROPHILIC CAPSULE CORE BASF SE (DE) 2016-07-27 EP disclosed
EP-2582761-B1 AQUEOUS BINDING AGENT COMPOSITIONS BASF SE (DE) 2015-03-18 EP disclosed
EP-2794085-A2 MICROCAPSULE DISPERSION CONTAINING MICROCAPSULES HAVING A HYDROPHILIC CAPSULE CORE BASF SE (DE) 2014-10-29 EP disclosed
WO-2013092158-A2 MICROCAPSULE DISPERSION CONTAINING MICROCAPSULES HAVING A HYDROPHILIC CAPSULE CORE BASF SE (DE) 2013-06-27 WO disclosed
US-20130157863-A1 MICROCAPSULE DISPERSION COMPRISING MICROCAPSULES WITH A HYDROPHILIC CAPSULE CORE BASF SE (DE) 2013-06-20 US 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