SCHEMBL4856818

SCHEMBL4856818

CC(=O)N/C=C\NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
CA2 P00918 1/20 0.44
PTGS1 P23219 1/20 0.44
MMP12 P39900 1/20 0.44
NFKB1 P19838 1/20 0.41
MTNR1A P48039 5/20 0.39
MTNR1B P49286 5/20 0.39
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CRBN Q96SW2 1/20 0.35
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
TAS2R38 P59533 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
CA1 P00915 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL4856814 1.00 KDM4E (0.44) KDM4ECA2PTGS1MMP12NFKB1
SCHEMBL1956799 1.00 KDM4E (0.44) KDM4ECA2PTGS1MMP12NFKB1
SCHEMBL20754653 0.87
SCHEMBL1358143 0.83
SCHEMBL1358140 0.83
SCHEMBL6194847 0.83
SCHEMBL3858865 0.81
SCHEMBL11093870 0.81
SCHEMBL14930918 0.81
SCHEMBL17753807 0.81

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687349-B1 POLYAMINE POLYMERS ILYPSA INC (US) 2008-06-18 EP disclosed
EP-1687349-B1 POLYAMINE POLYMERS ILYPSA INC (US) 2008-06-18 EP disclosed
US-7385012-B2 Polyamine polymers ILYPSA, INC. (US) 2008-06-10 US disclosed
US-7385012-B2 Polyamine polymers ILYPSA, INC. (US) 2008-06-10 US disclosed
US-7385012-B2 Polyamine polymers ILYPSA, INC. (US) 2008-06-10 US disclosed
US-7342083-B2 Polyamine polymers ILYPSA, INC. (US) 2008-03-11 US disclosed
US-7342083-B2 Polyamine polymers ILYPSA, INC. (US) 2008-03-11 US disclosed
US-7342083-B2 Polyamine polymers ILYPSA, INC. (US) 2008-03-11 US disclosed
EP-1687349-A4 POLYAMINE POLYMERS ILYPSA INC (US) 2006-12-27 EP disclosed
EP-1687349-A2 POLYAMINE POLYMERS Ilypsa, Inc. (US) 2006-08-09 EP disclosed
US-20050165190-A1 Polyamine polymers SYMYX THERAPEUTICS, INC. (US) 2005-07-28 US disclosed
WO-2005041900-A2 POLYAMINE POLYMERS ILYPSA, INC. (US) 2005-05-12 WO disclosed
US-20050096438-A1 Polyamine polymers SYMYX THERAPEUTICS, INC. (US) 2005-05-05 US disclosed
WO-2000029385-A1 1,4,5,6-TETRAHYDRO-PYRIDAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS NEURAMINIDASE INHIBITORS GILEAD SCIENCES, INC. (US) 2000-05-25 WO disclosed