SCHEMBL4249046

SCHEMBL4249046

CC(=O)CCn1cc[n+](C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
HSP90AA1 P07900 2/20 0.49
KMT2A Q03164 2/20 0.49
APAF1 O14727 1/20 0.49
NPC1 O15118 1/20 0.49
PLA2G1B P04054 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
LMNA P02545 2/20 0.43
FDPS P14324 2/20 0.41
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PON1 P27169 2/20 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
SCHEMBL717073 0.85 SMN1; SMN2 (0.49) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Bromide SCHEMBL571258 0.83 SMN1; SMN2 (0.51) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Hydrochloric Acid SCHEMBL29008265 0.83 SMN1; SMN2 (0.47) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL12037959 0.80 SMN1; SMN2 (0.53) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL31672212 0.79 SMN1; SMN2 (0.44) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL15136817 0.79 SMN1; SMN2 (0.63) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Water SCHEMBL28178856 0.78 SMN1; SMN2 (0.51) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Acetic Acid SCHEMBL2922154 0.78 SMN1; SMN2 (0.46) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Acetic Acid SCHEMBL14251751 0.78 SMN1; SMN2 (0.54) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Water SCHEMBL17764770 0.77 SMN1; SMN2 (0.61) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202446-B2 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-06-19 US disclosed
US-20090272938-A1 Ionic Liquid Based Mixtures For Gas Storage and Delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-11-05 US disclosed
US-7563308-B2 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-07-21 US disclosed
US-7404845-B2 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-07-29 US disclosed
EP-1640654-A1 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-03-29 EP disclosed
US-20060060817-A1 Ionic liquid based mixtures for gas storage and delivery VERSUM MATERIALS US, LLC 2006-03-23 US disclosed
US-20060060818-A1 Ionic liquid based mixtures for gas storage and delivery VERSUM MATERIALS US, LLC 2006-03-23 US disclosed