SCHEMBL8040925

SCHEMBL8040925

O=C(O)CCC(CP(=O)(O)OCCc1ccccc1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.76
CPA3 P15088 1/20 0.52
GRM3 Q14832 2/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.49

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
SCHEMBL8053977 0.92 FOLH1 (0.73) FOLH1CPA3GRM3NAALAD2
SCHEMBL8052865 0.86 FOLH1 (1.00) FOLH1CPA3GRM3NAALAD2
SCHEMBL12145183 0.81 GRM3 (0.68) FOLH1CPA3GRM3
SCHEMBL5053123 0.80 FOLH1 (0.61) FOLH1CPA3GRM3
SCHEMBL26619890 0.79 FOLH1 (0.60) FOLH1CPA3
SCHEMBL8056003 0.78 FOLH1 (0.67) FOLH1CPA3GRM3NAALAD2
SCHEMBL8052218 0.77 FOLH1 (0.62) FOLH1GRM3NAALAD2
SCHEMBL14720055 0.77 FOLH1 (0.59) FOLH1CPA3GRM3NAALAD2
SCHEMBL1374848 0.77 FOLH1 (0.59) FOLH1CPA3GRM3
SCHEMBL6381682 0.77 FOLH1 (0.78) FOLH1CPA3GRM3NAALAD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6054444-A INHIBIT N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-25 US claimed