SCHEMBL2992019

SCHEMBL2992019

CCCCS(=O)(=O)OCn1cc[n+](C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
APAF1 O14727 1/20 0.47
NPC1 O15118 1/20 0.47
PLA2G1B P04054 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
FDPS P14324 2/20 0.33
LMNA P02545 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
SCHEMBL3009169 0.85 SMN1; SMN2 (0.42) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL20162276 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL20162245 0.74 SMN1; SMN2 (0.38) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL2356655 0.74 SMN1; SMN2 (0.49) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL2357881 0.73 MEN1 (0.59) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL16731564 0.72 APAF1 (0.54) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL3001103 0.72 SMN1; SMN2 (0.54) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Sulfuric Acid SCHEMBL2993814 0.71 MEN1 (0.67) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Sulfuric Acid SCHEMBL28980890 0.71 MEN1 (0.67) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Sulfuric Acid SCHEMBL28449063 0.71 MEN1 (0.67) SMN1; SMN2MEN1APAF1NPC1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100191010-A1 PROCESS FOR THE SYNTHESIS OF CARBAMATES USING CO2 HUNTSMAN INTERNATIONAL LLC (US) 2010-07-29 US disclosed
EP-2173705-A1 PROCESS FOR THE SYNTHESIS OF CARBAMATES USING CO2 Huntsman International LLC (US) 2010-04-14 EP disclosed
WO-2009013062-A1 PROCESS FOR THE SYNTHESIS OF CARBAMATES USING CO2 HUNTSMAN INTERNATIONAL LLC (US) 2009-01-29 WO disclosed
EP-2011782-A1 Process for the synthesis of carbamates using co2 HUNTSMAN INTERNATIONAL LLC (US) 2009-01-07 EP disclosed