SCHEMBL8056003

SCHEMBL8056003

O=C(O)CCC(CP(=O)(O)Oc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.67
GRM3 Q14832 2/20 0.54
NAALAD2 Q9Y3Q0 1/20 0.54
CPA3 P15088 1/20 0.50

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
SCHEMBL8058903 0.87 FOLH1 (0.55) FOLH1GRM3NAALAD2
SCHEMBL8052865 0.80 FOLH1 (1.00) FOLH1GRM3NAALAD2CPA3
SCHEMBL2742765 0.80 GRM3 (0.59) FOLH1GRM3NAALAD2
SCHEMBL8040925 0.78 FOLH1 (0.76) FOLH1GRM3NAALAD2CPA3
SCHEMBL1373618 0.77 FOLH1 (0.59) FOLH1GRM3NAALAD2CPA3
SCHEMBL8155082 0.77 FOLH1 (0.59) FOLH1GRM3NAALAD2CPA3
SCHEMBL8053977 0.76 FOLH1 (0.73) FOLH1GRM3NAALAD2CPA3
SCHEMBL7049063 0.76 FOLH1 (0.67) FOLH1GRM3NAALAD2
SCHEMBL25698407 0.76 SRC (0.53)
Benzene SCHEMBL8056005 0.76 FOLH1 (0.92) 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 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