SCHEMBL4944111

SCHEMBL4944111

CO[Si](CCCN1C(=O)NC(C)(C)C1=O)(OC)OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 10/20 0.47
PADI4 Q9UM07 1/20 0.46
MAPK1 P28482 2/20 0.45
KMT2A Q03164 2/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
PLA2G7 Q13093 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL2355896 0.84 ALDH1A1 (0.49) POLBSMN1; SMN2ALDH1A1PADI4MAPK1
SCHEMBL11694927 0.80 POLB (0.68) POLBSMN1; SMN2ALDH1A1PADI4MAPK1
SCHEMBL4945318 0.80 POLB (0.53) POLBSMN1; SMN2ALDH1A1PADI4MAPK1
SCHEMBL9787811 0.79 POLB (0.65) POLBSMN1; SMN2ALDH1A1PADI4MAPK1
SCHEMBL11694716 0.79 POLB (0.65) POLBSMN1; SMN2ALDH1A1PADI4MAPK1
SCHEMBL11208031 0.78 POLB (0.47) POLBSMN1; SMN2ALDH1A1PADI4MAPK1
SCHEMBL4935870 0.77 POLB (0.46) POLBSMN1; SMN2ALDH1A1PADI4MAPK1
SCHEMBL11677768 0.76 POLB (0.74) POLBSMN1; SMN2ALDH1A1PADI4MAPK1
SCHEMBL11162436 0.76 HTR1A (0.37) SMN1; SMN2PLA2G7RAB9A
SCHEMBL5584328 0.75 POLB (0.61) POLBSMN1; SMN2ALDH1A1PADI4MAPK1

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