SCHEMBL14218312

SCHEMBL14218312

CC(C)(C)OC(=O)NCC(=O)OCCCN

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.47
CA2 P00918 8/20 0.47
CA1 P00915 7/20 0.47
CA9 Q16790 7/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
IDO1 P14902 1/20 0.38
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL1710035 0.85 CA12 (0.48) CA12CA2CA1CA9MAOA
SCHEMBL16124577 0.83 CA12 (0.50) CA12CA2CA1CA9MAOA
SCHEMBL3402001 0.83 TDP1 (0.60) CA12CA2CA1CA9MAOA
SCHEMBL27829380 0.83 CA12 (0.47) CA12CA2CA1CA9MAOA
SCHEMBL27675332 0.82 MAOA (0.46) CA12CA2CA1CA9MAOA
SCHEMBL5265859 0.82 NAAA (0.53) CA12CA2CA1CA9MAOA
SCHEMBL18675948 0.82 CA12 (0.46) CA12CA2CA1CA9MAOA
SCHEMBL2152898 0.81 TDP1 (0.51) CA12CA2CA1CA9MAOA
SCHEMBL20557107 0.81 KMT2A (0.43) CA12CA2CA1CA9MAOA
SCHEMBL16272988 0.81 TDP1 (0.51) CA12CA2CA1CA9MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641729-B1 USE OF FUNCTIONALIZED ONIUM SALTS AS A SOLUBLE SUPPORT FOR ORGANIC SYNTHESIS CENTRE NAT RECH SCIENT (FR) 2008-05-07 EP disclosed