SCHEMBL8060930

SCHEMBL8060930

CC(NP(=O)(O)Cc1ccccc1)C(=O)O.CCC(NP(=O)(O)Cc1ccccc1)C(=O)O.CCCC(NP(=O)(O)Cc1ccccc1)C(=O)O.CCCCC(NP(=O)(O)Cc1ccccc1)C(=O)O.O=C(O)C(NP(=O)(O)Cc1ccccc1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.37
CTSK P43235 1/20 0.37
BCHE P06276 1/20 0.35
MME P08473 3/20 0.34
ECE1 P42892 1/20 0.34
PYGL P06737 1/20 0.34
EPHX2 P34913 2/20 0.34
ACE P12821 2/20 0.34
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33

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
Alanine SCHEMBL7646190 0.93 CTSK (0.37) RENCTSKBCHEMMEECE1
SCHEMBL5058010 0.79 EPHX2 (0.44) MMEEPHX2ACECPA1ACE2
SCHEMBL5051299 0.78 CNR2 (0.46) CTSKMMEECE1ACECPA1
SCHEMBL5053032 0.76 GGH (0.47) MME
SCHEMBL5054738 0.74 POLB (0.48) MMEACECPA1ACE2
SCHEMBL5054288 0.71 LTA4H (0.47) MMEECE1ACE
SCHEMBL5051224 0.69 LTA4H (0.50) CTSKMMEEPHX2ACECPA1
SCHEMBL5053356 0.68 GGT1 (0.46) MME
SCHEMBL5060126 0.67 GGH (0.55)
SCHEMBL5059968 0.67 S1PR2 (0.47) MME

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-1044206-A1 PRODRUGS OF NAALADASE INHIBITORS Guildford Pharmaceuticals Inc. (US) 2000-10-18 EP disclosed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP disclosed
WO-1999033849-A1 PRODRUGS OF NAALADASE INHIBITORS GUILDFORD PHARMACEUTICALS INC. (US) 1999-07-08 WO disclosed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed