SCHEMBL15083096

SCHEMBL15083096

C=C(C)c1ccc(CN(CC(=O)O)CC(=O)ON)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.39
CA2 P00918 14/20 0.39
MEP1B Q16820 1/20 0.38
CA4 P22748 4/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ACHE P22303 2/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL16258021 0.94 HRH3 (0.40) MEP1BHRH3HDAC8HDAC6ACHE
SCHEMBL838081 0.88 MEP1B (0.46) MEP1BHRH3HDAC8HDAC6ACHE
SCHEMBL14490540 0.79 MEP1B (0.39) MEP1BHRH3HDAC8HDAC6ACHE
SCHEMBL14199666 0.76 PYCR1 (0.47) ACHEBCHE
SCHEMBL15382565 0.75 CA1 (0.36) CA1CA2CA4HRH3
SCHEMBL2444866 0.71 MEP1B (0.49) MEP1B
SCHEMBL27220639 0.71 LOXL2 (0.56) CA1CA2MEP1B
SCHEMBL608633 0.70 HRH3 (0.57) HRH3HDAC8HDAC6ACHEBCHE
SCHEMBL14787784 0.69 MEP1B (0.45) MEP1B
SCHEMBL10894676 0.69 TDP1 (0.46) CA1CA2CA4HRH3

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-1793275-B1 Method for preparation of lithographic printing plate and lithographic printing plate precursor FUJIFILM CORP (JP) 2013-07-03 EP disclosed