SCHEMBL7651193

SCHEMBL7651193

CCP(=O)(O)C(c1cccnc1)C(CCC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.47
GRM4 Q14833 1/20 0.47
TBXAS1 P24557 8/20 0.46
EPHX2 P34913 2/20 0.40
ITGB3 P05106 4/20 0.39
ITGAV P06756 4/20 0.39
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
KCNN4 O15554 2/20 0.38
KCNA5 P22460 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ITGA2B P08514 1/20 0.37

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
SCHEMBL8460054 0.80 GRM8 (0.48) GRM8GRM4TBXAS1EPHX2ITGB3
SCHEMBL5051209 0.77 TBXAS1 (0.43) GRM8GRM4TBXAS1EPHX2ITGB3
SCHEMBL5054266 0.76 ANPEP (0.46) GRM8GRM4TBXAS1ANPEPERAP2
SCHEMBL5053100 0.75 TBXAS1 (0.46) GRM8GRM4TBXAS1LMNA
SCHEMBL5053015 0.74 GRM8 (0.46) GRM8GRM4TBXAS1ANPEPERAP2
SCHEMBL5054578 0.74 GGH (0.40) GRM8GRM4TBXAS1KCNN4KCNA5
SCHEMBL5052905 0.74 GRM8 (0.47) GRM8GRM4TBXAS1ANPEPERAP2
SCHEMBL5054564 0.73 TBXAS1 (0.47) GRM8GRM4TBXAS1LMNA
SCHEMBL7649772 0.73 TBXAS1 (0.50) GRM8GRM4TBXAS1EPHX2ITGB3
SCHEMBL8457126 0.72 GGH (0.44) CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002514184-A 2002-05-14 JP claimed
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 claimed
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 claimed