SCHEMBL6911744

SCHEMBL6911744

CCOC(=O)C1C2C(NC(=O)c3cccc(C)c3)CC(NC(=O)OC(C)(C)C)(C(=O)OCC)C12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.38
GRM3 Q14832 5/20 0.38
GRM6 O15303 1/20 0.38
GRM4 Q14833 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
CYP2C19 P33261 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL6911749 1.00 GRM2 (0.38) GRM2GRM3GRM6GRM4NPC1
SCHEMBL6901983 0.93 GRM2 (0.40) GRM2GRM3GRM6GRM4RAB9A
SCHEMBL6901988 0.93 GRM2 (0.40) GRM2GRM3GRM6GRM4RAB9A
SCHEMBL6906235 0.91 GRM2 (0.47) GRM2GRM3GRM6GRM4NPC1
SCHEMBL6916632 0.91 GRM2 (0.47) GRM2GRM3GRM6GRM4NPC1
SCHEMBL6916637 0.91 GRM2 (0.47) GRM2GRM3GRM6GRM4NPC1
SCHEMBL6906238 0.91 GRM2 (0.47) GRM2GRM3GRM6GRM4NPC1
SCHEMBL6910269 0.91 GRM2 (0.50) GRM2GRM3GRM6GRM4NPC1
SCHEMBL6910265 0.91 GRM2 (0.50) GRM2GRM3GRM6GRM4NPC1
SCHEMBL6906145 0.90 TAS1R3 (0.45) GRM2GRM3GRM6GRM4ALDH1A1

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-20040116489-A1 Synthetic excitatory amino acids ELI LILLY AND COMPANY 2004-06-17 US disclosed