SCHEMBL8468628

SCHEMBL8468628

O=C(O)CCC(CP(=O)(O)C(O)Cc1ccccc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.63
FOLH1 Q04609 4/20 0.60
LAP3 P28838 3/20 0.53
ERAP2 Q6P179 3/20 0.53
ERAP1 Q9NZ08 2/20 0.53
ANPEP P15144 2/20 0.53
GRM3 Q14832 2/20 0.51
NAALAD2 Q9Y3Q0 1/20 0.51

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
SCHEMBL5052894 0.83 CPA3 (0.71) CPA3FOLH1LAP3ERAP2ERAP1
SCHEMBL5054470 0.80 FOLH1 (0.56) CPA3FOLH1GRM3NAALAD2
SCHEMBL14325899 0.79 CPA3 (0.69) CPA3FOLH1LAP3ERAP2ERAP1
SCHEMBL29088272 0.78 CPA3 (1.00) CPA3FOLH1NAALAD2
SCHEMBL3963424 0.78 CPA3 (1.00) CPA3FOLH1NAALAD2
SCHEMBL1373664 0.78 GRM3 (0.65) CPA3FOLH1GRM3
SCHEMBL12145183 0.77 GRM3 (0.68) CPA3FOLH1GRM3
SCHEMBL5134212 0.76 FOLH1 (0.62) CPA3FOLH1GRM3
SCHEMBL5134379 0.76 FOLH1 (0.65) CPA3FOLH1GRM3
SCHEMBL13946447 0.76 GRM3 (0.57) CPA3FOLH1GRM3

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
WO-1999033848-B1 PROCESS FOR PREPARING ENANTIOMER-ENRICHED HYDROXYPHOSPHINYL DERIVATIVES GUILFORD PHARM INC (US) 1999-08-12 WO claimed