SCHEMBL7589568

SCHEMBL7589568

O=C(O)CCC(CP(=O)(O)C(O)c1ccccn1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.49
KDM4E B2RXH2 1/20 0.48
GRM3 Q14832 2/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.47
CPA3 P15088 1/20 0.43

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
SCHEMBL5054470 0.81 FOLH1 (0.56) FOLH1GRM3NAALAD2CPA3
SCHEMBL5059809 0.78 FOLH1 (0.52) FOLH1GRM3NAALAD2CPA3
SCHEMBL1373533 0.76 GRM3 (0.55) FOLH1GRM3
SCHEMBL5054263 0.75 GRM3 (0.57) FOLH1GRM3CPA3
SCHEMBL6037785 0.74 FOLH1 (0.51) FOLH1GRM3NAALAD2CPA3
SCHEMBL7607528 0.74 GRM3 (0.52) FOLH1GRM3
SCHEMBL8468628 0.74 CPA3 (0.63) FOLH1GRM3NAALAD2CPA3
SCHEMBL2368046 0.72 FOLH1 (0.46) FOLH1GRM3NAALAD2CPA3
SCHEMBL5053119 0.72 FOLH1 (0.58) FOLH1GRM3NAALAD2
SCHEMBL7604506 0.72 FOLH1 (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066297-B1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARM INC (US) 2002-10-23 EP disclosed
EP-1066297-A1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2001-01-10 EP disclosed
US-6121252-A N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME INHIBITORS TO TREAT GLUTAMATE ABNORMALITIES AND PROSTATE DISEASES GUILFORD PHARMACEUTICALS INC. (US) 2000-09-19 US disclosed
WO-1999050272-A1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1999-10-07 WO disclosed