SCHEMBL8935945

SCHEMBL8935945

O=C(O)CNCCNCCNC(CC(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
FOLH1 Q04609 2/20 0.34
RIMKLA Q8IXN7 1/20 0.34
NAALAD2 Q9Y3Q0 1/20 0.34
GNPAT O15228 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MME P08473 2/20 0.33
GGT1 P19440 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CASP1 P29466 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 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
SCHEMBL23248621 1.00 CA2 (0.37) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL5015012 0.98 CA2 (0.38) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL3937150 0.92 CA2 (0.41) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL7054962 0.92 CA2 (0.41) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL3841887 0.92 CA2 (0.41) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL31435019 0.92 CA2 (0.41) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL5022754 0.89 FOLH1 (0.38) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL9505796 0.87 ECE1 (0.36) CA2FOLH1RIMKLANAALAD2GGT1
SCHEMBL5022765 0.87 CA2 (0.36) CA2CA4FOLH1RIMKLANAALAD2
SCHEMBL5825896 0.85 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-5559214-A Unsymmetrical complexing agents and targeting immunoreagents useful in thearpeutic and diagnostic compositions and methods STERLING WINTHROP INC. (US) 1996-09-24 US claimed
US-5399340-A Organ-specific nuclear magnetic resonance diagnosis SCHERING AKTIENGESELLSCHAFT (DE) 1995-03-21 US disclosed
US-5098692-A Gadolium complexes with N6-carboxymethyl-N3,N9-bis(methyl carbamoyl-methyl)-3,6,9-triazaundecanedioic acid and complexes with calcium SCHERING AKTIENGELLSCHAFT (DE) 1992-03-24 US disclosed