SCHEMBL8064207

SCHEMBL8064207

CCC(c1cccnc1)P(=O)(O)Oc1ccccc1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CXCL8 P10145 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
PDE4D Q08499 1/20 0.38
TBXAS1 P24557 1/20 0.38
MAPK1 P28482 1/20 0.38
KCNA5 P22460 4/20 0.38
KCNN4 O15554 3/20 0.38
NAPRT Q6XQN6 1/20 0.37
GRM8 O00222 1/20 0.37
GRM4 Q14833 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CFD P00746 1/20 0.36
F11 P03951 1/20 0.36

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
SCHEMBL8057254 0.87 CXCL8 (0.40) LMNASMN1; SMN2L3MBTL1CXCL8SLC6A2
SCHEMBL8046805 0.79 ITGB3 (0.43) LMNASMN1; SMN2L3MBTL1TBXAS1KCNA5
SCHEMBL7744762 0.79 CXCL8 (0.40) L3MBTL1CXCL8CFDF11TPSB2
SCHEMBL7746878 0.79 CXCL8 (0.40) SMN1; SMN2CXCL8SLC6A2SLC6A4CFD
SCHEMBL5060069 0.76 GRM8 (0.43) LMNASMN1; SMN2L3MBTL1SLC6A2SLC6A4
SCHEMBL7744718 0.75 TDP1 (0.47) L3MBTL1CXCL8KDM4E
SCHEMBL8058590 0.74 NAPRT (0.51) CXCL8TBXAS1NAPRTSGMS2
SCHEMBL5057897 0.72 TBXAS1 (0.44) LMNASMN1; SMN2L3MBTL1PDE4DTBXAS1
SCHEMBL8057233 0.71 PPARG (0.41) SMN1; SMN2CXCL8SLC6A2SLC6A4CFD
SCHEMBL7744350 0.71 CXCL8 (0.45) L3MBTL1CXCL8CFDF11TPSB2

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-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed