SCHEMBL7607485

SCHEMBL7607485

CC(=O)N(O)CCC(CCC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 15/20 0.50
GRM3 Q14832 2/20 0.43
NAALAD2 Q9Y3Q0 1/20 0.43

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
SCHEMBL1377637 0.83 FOLH1 (0.50) FOLH1GRM3NAALAD2
SCHEMBL7604450 0.82 FOLH1 (0.47) FOLH1GRM3NAALAD2
SCHEMBL108166 0.77 FOLH1 (0.76) FOLH1GRM3NAALAD2
SCHEMBL10430532 0.76 FOLH1 (0.61) FOLH1GRM3NAALAD2
SCHEMBL7145291 0.76 FOLH1 (0.52) FOLH1GRM3NAALAD2
SCHEMBL10045696 0.75 KDM4C (0.48)
SCHEMBL13726298 0.75 FOLH1 (0.73) FOLH1GRM3NAALAD2
SCHEMBL29060942 0.75 FOLH1 (0.73) FOLH1GRM3NAALAD2
SCHEMBL27996973 0.75 FOLH1 (0.73) FOLH1GRM3NAALAD2
SCHEMBL7607491 0.74 FOLH1 (0.50) FOLH1GRM3

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
JP-2002514185-A 2002-05-14 JP claimed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP claimed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed