SCHEMBL6913679

SCHEMBL6913679

CCOC(=O)C1C2C(NC(=O)c3ccc(C)cc3)CC(NC(=O)OC(C)(C)C)(C(=O)OCC)C12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.37
GRM3 Q14832 5/20 0.37
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
CYP2C19 P33261 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 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
DGAT1 O75907 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
USP30 Q70CQ3 1/20 0.32
SSTR3 P32745 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
SCHEMBL6913681 1.00 GRM2 (0.37) GRM2GRM3KMT2AMEN1CYP2C19
SCHEMBL6911129 0.94 GRM2 (0.38) GRM2GRM3KMT2AMEN1ALDH1A1
SCHEMBL6911124 0.94 GRM2 (0.38) GRM2GRM3KMT2AMEN1ALDH1A1
SCHEMBL6906612 0.93 GRM2 (0.43) GRM2GRM3TSHRHDAC4HDAC6
SCHEMBL6906608 0.93 GRM2 (0.43) GRM2GRM3TSHRHDAC4HDAC6
SCHEMBL6904297 0.93 GRM2 (0.43) GRM2GRM3KMT2AMEN1SMN1; SMN2
SCHEMBL6904292 0.93 GRM2 (0.43) GRM2GRM3KMT2AMEN1SMN1; SMN2
SCHEMBL6909757 0.92 GRM2 (0.47) GRM2GRM3KMT2AMEN1SMN1; SMN2
SCHEMBL6909754 0.92 GRM2 (0.47) GRM2GRM3KMT2AMEN1SMN1; SMN2
SCHEMBL6909913 0.91 USP30 (0.44) GRM2GRM3KMT2AMEN1SMN1; SMN2

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