SCHEMBL5825896

SCHEMBL5825896

O=C(O)CC(NCCN[C@@H](CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GGT1 P19440 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
MME P08473 4/20 0.39
FOLH1 Q04609 1/20 0.38
RIMKLA Q8IXN7 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL39257 1.00 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL15637714 1.00 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL4992798 1.00 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL414800 1.00 CA2 (0.45) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL5688872 0.97 CA2 (0.44) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL4998356 0.97 CA2 (0.44) CA2CA4TDP1SMN1; SMN2GGT1
Ammonia Solution, Strong SCHEMBL8761546 0.97 TDP1 (0.48) CA2CA4TDP1SMN1; SMN2GGT1
SCHEMBL6231707 0.95 CA2 (0.42) CA2CA4TDP1SMN1; SMN2GGT1
Ammonia Solution, Strong SCHEMBL8620341 0.95 TDP1 (0.46) CA2CA4TDP1SMN1; SMN2GGT1
Ammonia Solution, Strong SCHEMBL7104814 0.95 TDP1 (0.46) CA2CA4TDP1SMN1; SMN2GGT1

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
JP-2006257100-A METHOD FOR PURIFYING S, S-ETHYLENEDIAMINE-N,N'-DISUCCINIC ACID OR ITS SALT MITSUBISHI RAYON CO LTD 2006-09-28 JP disclosed