SCHEMBL12860967

SCHEMBL12860967

CC(C)N(CCOCCOCCN(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
USP2 O75604 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
LTA4H P09960 1/20 0.33
CHRM2 P08172 3/20 0.32
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 2/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL12860905 0.98 CA12 (0.41) CA12CA1CA2CA9MEN1
SCHEMBL12918859 0.90 MEN1 (0.46) CA12CA1CA2CA9MEN1
SCHEMBL9705215 0.87 MEN1 (0.48) MEN1KMT2ACHRNB2CHRNA4LTA4H
SCHEMBL16672155 0.86 ALDH1A1 (0.36) CA12CA1CA2CA9MEN1
SCHEMBL12918862 0.82 CA12 (0.56) CA12CA1CA2CA9MEN1
SCHEMBL3973874 0.82 CA12 (0.56) CA12CA1CA2CA9MEN1
SCHEMBL1552620 0.81 MAPT (0.41) CA12CA1CA2CA9MEN1
SCHEMBL12847836 0.81 CA12 (0.44) CA12CA1CA2CA9ADRB2
SCHEMBL14985881 0.80 MEN1 (0.34) MEN1KMT2ACHRNB2CHRNA4LTA4H
SCHEMBL19542957 0.79 MEN1 (0.37) MEN1KMT2ACHRNB2CHRNA4LTA4H

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-9279086-B2 Process for removing organic acids from crude oil and crude oil distillates THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2016-03-08 US disclosed
US-9017541-B2 Electrodeposition of elemental zirconium ASTRON ADVANCED MATERIALS LIMITED (GB) 2015-04-28 US disclosed
EP-2286915-A2 IONIC LIQUIDS WITH A CATION COMPRISING A BASIC MOIETY The Queen's University of Belfast (GB) 2011-02-23 EP disclosed
US-20090270248-A1 Basic ionic liquids THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2009-10-29 US disclosed
US-20090270248-A1 Basic ionic liquids THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2009-10-29 US disclosed
US-20090235574-A1 Production of Bio-Diesel EARLE MARTYN J 2009-09-24 US disclosed
US-20090235574-A1 Production of Bio-Diesel EARLE MARTYN J 2009-09-24 US disclosed