SCHEMBL7608626

SCHEMBL7608626

O=C(O)CCC(CSCCS)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 13/20 0.60
GRM3 Q14832 2/20 0.43
NAALAD2 Q9Y3Q0 1/20 0.43
TET2 Q6N021 3/20 0.42
KDM4A O75164 2/20 0.42
KDM4C Q9H3R0 2/20 0.42
KDM2A Q9Y2K7 2/20 0.42
TET3 O43151 1/20 0.42

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
SCHEMBL7618177 0.89 FOLH1 (0.62) FOLH1GRM3NAALAD2
SCHEMBL7613147 0.76 FOLH1 (0.50) FOLH1GRM3NAALAD2
SCHEMBL2058227 0.76 FOLH1 (1.00) FOLH1GRM3NAALAD2
SCHEMBL9814887 0.76 FOLH1 (0.61) FOLH1GRM3NAALAD2
SCHEMBL1278279 0.73 FOLH1 (1.00) FOLH1GRM3NAALAD2
SCHEMBL7608322 0.73 FOLH1 (0.48) FOLH1GRM3TET2KDM4AKDM4C
SCHEMBL16529159 0.72 FOLH1 (1.00) FOLH1GRM3NAALAD2
SCHEMBL787800 0.72 FOLH1 (1.00) FOLH1GRM3NAALAD2
SCHEMBL108166 0.72 FOLH1 (0.76) FOLH1GRM3NAALAD2TET2KDM4A
SCHEMBL7611637 0.71 FOLH1 (0.58) FOLH1GRM3NAALAD2

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
US-6458775-B1 N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) INHIBITORS ENZYME ACTIVITY, PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH INHIBITORS, AND METHODS OF THEIR USE TO INHIBIT NAALADASE ENZYME ACTIVITY, THEREBY EFFECTING NEURONAL GUILFORD PHARMACEUTICAL INC. 2002-10-01 US disclosed
US-6265609-B1 INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY; IN DRUGS TO TREAT GLUTAMATE ABNORMALITIES; COMPULSIVE DISORDERS AND PROSTATE DISEASES, TO EFFECT NEURONAL ACTIVITIES GUILFORD PHARMACEUTICALS INC. 2001-07-24 US disclosed