SCHEMBL7649772

SCHEMBL7649772

O=C(O)CCC(C(=O)O)C(c1cccnc1)[PH](=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.50
EPHX2 P34913 2/20 0.43
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 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
SCHEMBL7649639 0.83 BCHE (0.40) TBXAS1EPHX2GRM8GRM4SMN1; SMN2
SCHEMBL8461160 0.76 SMN1; SMN2 (0.47) TBXAS1EPHX2SMN1; SMN2
SCHEMBL8581067 0.75 FOLH1 (0.41)
SCHEMBL7649464 0.75 PTPRA (0.39) SMN1; SMN2
SCHEMBL27965757 0.74 TBXAS1 (0.60) TBXAS1EPHX2GRM8GRM4SMN1; SMN2
SCHEMBL2638943 0.74 TBXAS1 (0.60) TBXAS1EPHX2GRM8GRM4SMN1; SMN2
SCHEMBL30082780 0.74 TBXAS1 (0.60) TBXAS1EPHX2GRM8GRM4SMN1; SMN2
SCHEMBL27965558 0.74 TBXAS1 (0.60) TBXAS1EPHX2GRM8GRM4SMN1; SMN2
SCHEMBL7650063 0.73 LCK (0.34)
SCHEMBL27497417 0.73 TBXAS1 (0.58) TBXAS1EPHX2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515040-A 2002-05-21 JP claimed
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
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 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
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed