SCHEMBL7647111

SCHEMBL7647111

O=C(O)CCC(OP(=O)(Cc1ccccc1)OO)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.44
FOLH1 Q04609 2/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.39
GGH Q92820 1/20 0.39
SRR Q9GZT4 2/20 0.39
KEAP1 Q14145 1/20 0.38

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
SCHEMBL1377537 0.83 FOLH1 (0.52) CPA3FOLH1NAALAD2GGHSRR
SCHEMBL2368169 0.80 CPA3 (0.43) CPA3FOLH1NAALAD2GGHSRR
SCHEMBL2368167 0.79 CPA3 (0.45) CPA3FOLH1NAALAD2GGHSRR
SCHEMBL5051276 0.78 FOLH1 (0.50) CPA3FOLH1GGHKEAP1
SCHEMBL5053058 0.75 FOLH1 (0.47) CPA3FOLH1GGHSRR
SCHEMBL5059834 0.74 FOLH1 (0.46) CPA3FOLH1
SCHEMBL1376074 0.74 ACE (0.51) FOLH1
SCHEMBL1374791 0.74 GGH (0.52) CPA3FOLH1GGH
SCHEMBL5053099 0.73 ACE (0.55) FOLH1
SCHEMBL5051250 0.73 MAPT (0.45) CPA3FOLH1

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-6479471-B1 NOVEL PHOSPHONATE DERIVATIVES, HYDROXYPHOSPHINYL DERIVATIVES, AND PHOSPHORAMIDATE DERIVATIVES THAT INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY TO TREAT PROSTATE DISEASES GUILFORD PHARMACEUTICALS INC. 2002-11-12 US disclosed