SCHEMBL6901983

SCHEMBL6901983

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.40
GRM3 Q14832 6/20 0.40
GRM6 O15303 1/20 0.40
GRM4 Q14833 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP30 Q70CQ3 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CREBBP Q92793 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6901988 1.00 GRM2 (0.40) GRM2GRM3GRM6GRM4TAS1R3
SCHEMBL6911744 0.93 GRM2 (0.38) GRM2GRM3GRM6GRM4TAS1R3
SCHEMBL6911749 0.93 GRM2 (0.38) GRM2GRM3GRM6GRM4TAS1R3
SCHEMBL6911129 0.92 GRM2 (0.38) GRM2GRM3GRM6GRM4TAS1R3
SCHEMBL6911124 0.92 GRM2 (0.38) GRM2GRM3GRM6GRM4TAS1R3
SCHEMBL6906235 0.91 GRM2 (0.47) GRM2GRM3GRM6GRM4TAS1R3
SCHEMBL6906238 0.91 GRM2 (0.47) GRM2GRM3GRM6GRM4TAS1R3
SCHEMBL6916637 0.91 GRM2 (0.47) GRM2GRM3GRM6GRM4KDM4E
SCHEMBL6916632 0.91 GRM2 (0.47) GRM2GRM3GRM6GRM4KDM4E
SCHEMBL6910269 0.91 GRM2 (0.50) GRM2GRM3GRM6GRM4TAS1R3

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