SCHEMBL3064458

SCHEMBL3064458

C[C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].C[C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Cu+2].[Cu+2].[Cu+2]

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
CA1 P00915 4/20 0.36
CA4 P22748 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BBOX1 O75936 1/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CTSL P07711 1/20 0.30

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
SCHEMBL144802 0.95 CA2 (0.42) CA2CA1CA4KDM4EMAPT
SCHEMBL18045061 0.95 CA2 (0.37) CA2CA1CA4KDM4EMAPT
SCHEMBL15967881 0.95 CA2 (0.42) CA2CA1CA4KDM4EMAPT
SCHEMBL1279950 0.95 CA2 (0.37) CA2CA1CA4KDM4EMAPT
Potassium Ion SCHEMBL15052919 0.95 CA2 (0.37) CA2CA1CA4KDM4EMAPT
SCHEMBL3061228 0.95 CA2 (0.37) CA2CA1CA4KDM4EMAPT
SCHEMBL5688204 0.95 CA2 (0.37) CA2CA1CA4KDM4EMAPT
SCHEMBL18858710 0.93 CA2 (0.36) CA2CA1CA4KDM4EMAPT
Water SCHEMBL21404877 0.93 CA2 (0.41) CA2CA1CA4KDM4EMAPT
SCHEMBL4650619 0.87 CA2 (0.37) CA2CA1CA4KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993504-B2 Oxidation catalyst for bleaching, and bleaching composition using the same LION CORPORATION (JP) 2015-03-31 US disclosed
US-20100267602-A1 OXIDATION CATALYST FOR BLEACHING, AND BLEACHING COMPOSITION USING THE SAME LION CORPORATION (JP) 2010-10-21 US disclosed
EP-2233558-A1 OXIDATION CATALYST FOR BLEACHING AND BLEACHING COMPOSITION CONTAINING THE SAME Lion Corporation (JP) 2010-09-29 EP disclosed