SCHEMBL6911129

SCHEMBL6911129

CCOC(=O)[C@H]1C2C(NC(=O)c3ccc(C(=O)O)cc3)CC(NC(=O)OC(C)(C)C)(C(=O)OCC)C21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.38
GRM3 Q14832 6/20 0.38
MAPT P10636 1/20 0.35
DGAT1 O75907 1/20 0.34
USP30 Q70CQ3 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
GRM6 O15303 1/20 0.33
GRM4 Q14833 1/20 0.33
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
POLB P06746 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
SCHEMBL6911124 1.00 GRM2 (0.38) GRM2GRM3MAPTDGAT1USP30
SCHEMBL6913681 0.94 GRM2 (0.37) GRM2GRM3DGAT1USP30MEN1
SCHEMBL6913679 0.94 GRM2 (0.37) GRM2GRM3DGAT1USP30MEN1
SCHEMBL6901988 0.92 GRM2 (0.40) GRM2GRM3USP30TAS1R3TAS1R1
SCHEMBL6901983 0.92 GRM2 (0.40) GRM2GRM3USP30TAS1R3TAS1R1
SCHEMBL6909913 0.92 USP30 (0.44) GRM2GRM3MAPTUSP30MEN1
SCHEMBL6909907 0.92 USP30 (0.44) GRM2GRM3MAPTUSP30MEN1
SCHEMBL6904292 0.92 GRM2 (0.43) GRM2GRM3MAPTMEN1KMT2A
SCHEMBL6906608 0.92 GRM2 (0.43) GRM2GRM3MAPTUSP30HDAC4
SCHEMBL6904297 0.92 GRM2 (0.43) GRM2GRM3MAPTMEN1KMT2A

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