SCHEMBL8053977

SCHEMBL8053977

O=C(O)CCC(CP(=O)(O)OCCCc1ccccc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.73
CPA3 P15088 1/20 0.50
GRM3 Q14832 2/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.47

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
SCHEMBL8040925 0.92 FOLH1 (0.76) FOLH1CPA3GRM3NAALAD2
SCHEMBL26619890 0.86 FOLH1 (0.60) FOLH1CPA3
SCHEMBL8052865 0.84 FOLH1 (1.00) FOLH1CPA3GRM3NAALAD2
SCHEMBL1374848 0.81 FOLH1 (0.59) FOLH1CPA3GRM3
SCHEMBL1374317 0.80 FOLH1 (0.57) FOLH1CPA3GRM3
SCHEMBL8053866 0.79 FOLH1 (0.59) FOLH1GRM3NAALAD2
SCHEMBL12145183 0.79 GRM3 (0.68) FOLH1CPA3GRM3
SCHEMBL5053123 0.78 FOLH1 (0.61) FOLH1CPA3GRM3
SCHEMBL2368562 0.77 FOLH1 (0.54) FOLH1CPA3GRM3
SCHEMBL2368505 0.76 FOLH1 (0.53) FOLH1CPA3

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