SCHEMBL5015012

SCHEMBL5015012

O=C(O)CNCCNC(CC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
FOLH1 Q04609 2/20 0.35
RIMKLA Q8IXN7 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
GNPAT O15228 1/20 0.34
MME P08473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GGT1 P19440 1/20 0.33
CASP1 P29466 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL8935945 0.98 CA2 (0.37) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL23248621 0.98 CA2 (0.37) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL3937150 0.90 CA2 (0.41) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL7054962 0.90 CA2 (0.41) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL3841887 0.90 CA2 (0.41) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL31435019 0.90 CA2 (0.41) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL5022765 0.89 CA2 (0.36) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL5825896 0.87 CA2 (0.45) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL414800 0.87 CA2 (0.45) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL15637714 0.87 CA2 (0.45) CA2CA4FOLH1RIMKLANAALAD2

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-20080115423-A1 Polishing Composition For Silicon Wafer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-05-22 US disclosed
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