SCHEMBL7745751

SCHEMBL7745751

CCCP(=O)(O)CCC(C(=O)O)C1CC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 2/20 0.38
GRM6 O15303 2/20 0.38
GRM4 Q14833 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
APEX1 P27695 1/20 0.38
GRM5 P41594 1/20 0.38
PMP22 Q01453 1/20 0.38
GRM1 Q13255 1/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC1A2 P43004 1/20 0.38
GCLC P48506 1/20 0.34
GRM7 Q14831 1/20 0.33
GLUL P15104 1/20 0.31

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
SCHEMBL7748019 0.92 GABBR2 (0.39) GRM8GRM6GRM4CYP2C9CYP2C19
SCHEMBL5051100 0.87 SLC1A2 (0.39) GRM8GRM6GRM4CYP2C9CYP2C19
SCHEMBL5053034 0.78 CYP2C9 (0.37) GRM8GRM6GRM4CYP2C9CYP2C19
SCHEMBL7364671 0.78 SLC1A2 (0.44) GRM8GRM6GRM4CYP2C9CYP2C19
SCHEMBL7360984 0.76 GPR84 (0.43) GRM8GRM6GRM4CYP2C9CYP2C19
SCHEMBL7357839 0.73 SLC1A2 (0.50) GRM8GRM6GRM4CYP2C9CYP2C19
SCHEMBL7399439 0.73 SLC1A2 (0.46) GRM8GRM6GRM4CYP2C9CYP2C19
SCHEMBL5053079 0.73 SLC1A2 (0.46) GRM8GRM6GRM4CYP2C9CYP2C19
SCHEMBL5053182 0.71 SLC1A2 (0.47) GRM8GRM6GRM4CYP2C9CYP2C19
SCHEMBL7745748 0.71 SLC1A2 (0.38) GRM8GRM6GRM4CYP2C9CYP2C19

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
WO-2001014390-A2 METABOTROPIC GLUTAMATE RECEPTOR LIGAND DERIVATIVES AS NAALADase INHIBITORS GUILFORD PHARMACEUTICALS (US) 2001-03-01 WO disclosed