SCHEMBL4944953

SCHEMBL4944953

CCO[Si](OCC)(OCC)C(CC)N1C(=O)NC(C)(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
AR P10275 1/20 0.31
PADI4 Q9UM07 1/20 0.30
GAA P10253 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4943217 0.86 POLB (0.38) POLBKMT2AMEN1LMNATSHR
SCHEMBL4945315 0.79 POLB (0.40) POLBKMT2AMEN1LMNATSHR
SCHEMBL4935878 0.74
SCHEMBL10422398 0.73 POLB (0.44) POLBKMT2AMEN1LMNATSHR
SCHEMBL638713 0.71 ALDH1A1 (0.34) LMNA
SCHEMBL22719860 0.71 POLB (0.30) POLB
SCHEMBL13745559 0.71 POLB (0.45) POLBKMT2AMEN1LMNATSHR
SCHEMBL21987126 0.67 CRBN (0.33) LMNA
SCHEMBL12042277 0.66 POLB (0.46) POLBKMT2AMEN1LMNATSHR
SCHEMBL1513862 0.65 POLB (0.42) POLBKMT2AMEN1LMNATSHR

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