SCHEMBL4943217

SCHEMBL4943217

CCC(N1C(=O)NC(C)(C)C1=O)[Si](OC)(OC)OC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
AR P10275 2/20 0.32
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PADI4 Q9UM07 1/20 0.31
HSD17B10 Q99714 2/20 0.30
GAA P10253 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL4944953 0.86 POLB (0.37) POLBKMT2AMEN1LMNATSHR
SCHEMBL4945315 0.80 POLB (0.40) POLBKMT2AALDH1A1MAPK1MEN1
SCHEMBL11162432 0.76
SCHEMBL4944908 0.75
SCHEMBL13745559 0.72 POLB (0.45) POLBKMT2AALDH1A1MEN1LMNA
SCHEMBL10422398 0.70 POLB (0.44) POLBKMT2AALDH1A1MAPK1MEN1
SCHEMBL5029750 0.70 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL7259482 0.70 KMT2A (0.33) KMT2A
SCHEMBL1513862 0.70 POLB (0.42) POLBKMT2AALDH1A1MAPK1MEN1
SCHEMBL5599723 0.68 XPO1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530576-B1 HETEROCYCLIC HALAMINE-SUBSTITUTED SILOXANES FOR USE IN BIOCIDAL COATINGS AND MATERIALS UNIV AUBURN (US) 2008-02-13 EP disclosed
US-20080003438-A1 Heterocyclic siloxanes for use in biocidal coatings and materials AUBURN UNIVERSITY (US) 2008-01-03 US disclosed
US-6969769-B2 N-halamine siloxanes for use in biocidal coatings and materials VANSON HALOSOURCE, INC. (US) 2005-11-29 US disclosed
EP-1530576-A2 HETEROCYCLIC HALAMINE-SUBSTITUTED SILOXANES FOR USE IN BIOCIDAL COATINGS AND MATERIALS Auburn University (US) 2005-05-18 EP disclosed
US-20040127667-A1 N-halamine siloxanes for use in biocidal coatings and materials AUBURN UNIVERSITY 2004-07-01 US disclosed
WO-2003106466-A2 N-HALAMINE SILOXANES FOR USE IN BIOCIDAL COATINGS AND MATERIALS AUBURN UNIVERSITY (US) 2003-12-24 WO disclosed