SCHEMBL10801445

SCHEMBL10801445

O=C(O)CNC(CC(=O)O)C(=O)O.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
CA4 P22748 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MME P08473 4/20 0.37
SLC22A6 Q4U2R8 1/20 0.36
FOLH1 Q04609 1/20 0.35
RIMKLA Q8IXN7 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
GNPAT O15228 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
SCHEMBL10801439 1.00 CA2 (0.42) CA2CA4TDP1SMN1; SMN2MME
SCHEMBL472192 0.98 CA2 (0.44) CA2CA4TDP1SMN1; SMN2MME
SCHEMBL20521 0.98 CA2 (0.44) CA2CA4TDP1SMN1; SMN2MME
Phosphine SCHEMBL27579074 0.95 CA2 (0.42) CA2CA4TDP1SMN1; SMN2MME
SCHEMBL28372032 0.95 CA2 (0.42) CA2CA4TDP1SMN1; SMN2MME
SCHEMBL28623751 0.95 CA2 (0.42) CA2CA4TDP1SMN1; SMN2MME
SCHEMBL28623754 0.95 CA2 (0.42) CA2CA4TDP1SMN1; SMN2MME
Acetic Acid SCHEMBL7744038 0.91 CA2 (0.40) CA2CA4TDP1SMN1; SMN2MME
SCHEMBL18794824 0.89 CA2 (0.39) CA2CA4TDP1SMN1; SMN2MME
SCHEMBL17616069 0.89 CA2 (0.39) CA2CA4TDP1SMN1; SMN2MME

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
CN-111569849-A Immobilized metal chelate chromatography medium and preparation method and application thereof 北京石油化工学院 2020-08-25 CN disclosed
US-4687557-A MIXTURE OF CYANIDE COMPLEXES OF GOLD, COPPER, CADMIUM, AND ZINC EMMENEGGER HEINZ (CH) 1987-08-18 US disclosed