SCHEMBL8660403

SCHEMBL8660403

O=C(O)CC(NCCNCCO)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
CA4 P22748 1/20 0.37
MME P08473 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
GGT1 P19440 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
FOLH1 Q04609 1/20 0.31
RIMKLA Q8IXN7 1/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31
GNPAT O15228 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
SCHEMBL3841887 0.92 CA2 (0.41) CA2CA4MMETDP1GGT1
SCHEMBL3937150 0.92 CA2 (0.41) CA2CA4MMETDP1GGT1
SCHEMBL31435019 0.92 CA2 (0.41) CA2CA4MMETDP1GGT1
SCHEMBL7054962 0.92 CA2 (0.41) CA2CA4MMETDP1GGT1
SCHEMBL8658149 0.89 CA2 (0.35) CA2CA4MMETDP1GGT1
SCHEMBL8657065 0.89 CA2 (0.35) CA2CA4MMETDP1GGT1
SCHEMBL2446847 0.88 CA2 (0.41) CA2CA4MMETDP1GGT1
SCHEMBL2901325 0.88 CA2 (0.41) CA2CA4MMETDP1GGT1
SCHEMBL8658190 0.87 CA2 (0.34) CA2CA4MMESMN1; SMN2GNPAT
SCHEMBL27396686 0.86 CA2 (0.40) CA2CA4MMETDP1GGT1

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
EP-0871695-A2 POLYAMINO MONOSUCCINIC ACID DERIVATIVE DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF THE DOW CHEMICAL COMPANY (US) 1998-10-21 EP disclosed
WO-1997008287-A2 POLYAMINO MONOSUCCINIC ACID DERIVATIVE DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF THE DOW CHEMICAL COMPANY (US) 1997-03-06 WO disclosed