SCHEMBL866376

SCHEMBL866376

O=C([O-])CNCC(=O)[O-].[Fe+2]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.50
CA1 P00915 4/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
FFAR3 O14843 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
CASP1 P29466 1/20 0.37
BBOX1 O75936 1/20 0.36
FABP3 P05413 2/20 0.31

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
SCHEMBL284370 0.93 CA4 (0.56) CA4CA1CA12CA2CA9
SCHEMBL2947828 0.93 CA4 (0.50) CA4CA1CA12CA2CA9
Zinc Ion SCHEMBL9393640 0.93 CA4 (0.50) CA4CA1CA12CA2CA9
SCHEMBL329100 0.93 CA4 (0.50) CA4CA1CA12CA2CA9
Lithium Ion SCHEMBL3464173 0.93 CA4 (0.50) CA4CA1CA12CA2CA9
SCHEMBL5183804 0.93 CA4 (0.50) CA4CA1CA12CA2CA9
SCHEMBL10627868 0.93 CA4 (0.50) CA4CA1CA12CA2CA9
SCHEMBL1882178 0.93 CA4 (0.50) CA4CA1CA12CA2CA9
Silver SCHEMBL17818673 0.93 CA4 (0.50) CA4CA1CA12CA2CA9
Potassium Ion SCHEMBL1820576 0.93 CA4 (0.50) CA4CA1CA12CA2CA9

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
CN-114630837-A Antigenic polypeptides and methods of use thereof 艾吉纳斯公司 2022-06-14 CN disclosed
US-8557304-B2 Method of obtaining secondary plant constituents SARTORIUS STEDIM BIOTECH GMBH (DE) 2013-10-15 US disclosed
US-20120077994-A1 METHOD OF OBTAINING SECONDARY PLANT CONSTITUENTS SARTORIUS STEDIM BIOTECH GMBH (DE) 2012-03-29 US disclosed