SCHEMBL10877620

SCHEMBL10877620

O=C(O)CCN=Cc1ccccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.70
CA12 O43570 7/20 0.70
KDM4E B2RXH2 4/20 0.70
CA9 Q16790 6/20 0.66
CA1 P00915 2/20 0.51
CTRC Q99895 1/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
PTPN11 Q06124 1/20 0.49
TSHR P16473 1/20 0.46
GAA P10253 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL27592075 0.87 CA12 (0.76) CA2CA12KDM4ECA9CA1
SCHEMBL7814753 0.87 CA12 (0.76) CA2CA12KDM4ECA9CA1
SCHEMBL7814756 0.87 CA12 (0.76) CA2CA12KDM4ECA9CA1
N,N'-Disalicylalethylenediamine SCHEMBL15017743 0.86 CA2 (0.81) CA2CA12KDM4ECA9CA1
N,N'-Disalicylalethylenediamine SCHEMBL15017708 0.86 CA2 (0.81) CA2CA12KDM4ECA9CA1
N,N'-Disalicylalethylenediamine SCHEMBL11613427 0.83 CA12 (1.00) CA2CA12KDM4ECA9CA1
N,N'-Disalicylalethylenediamine SCHEMBL18852430 0.83 CA12 (1.00) CA2CA12KDM4ECA9CA1
N,N'-Disalicylalethylenediamine SCHEMBL711494 0.83 CA12 (1.00) CA2CA12KDM4ECA9CA1
N,N'-Disalicylalethylenediamine SCHEMBL4290399 0.83 CA12 (1.00) CA2CA12KDM4ECA9CA1
N,N'-Disalicylalethylenediamine SCHEMBL29356999 0.83 CA12 (1.00) CA2CA12KDM4ECA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61005015-A None JP disclosed
JP-S615015-A ANTICATARACT AGENT SOGO YATSUKOU KK 1986-01-10 JP disclosed