SCHEMBL6909913

SCHEMBL6909913

CCOC(=O)[C@H]1C2C(NC(=O)c3ccc(-c4ccccc4)cc3)CC(NC(=O)OC(C)(C)C)(C(=O)OCC)C21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.44
GRM2 Q14416 5/20 0.38
GRM3 Q14832 5/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
HDAC1 Q13547 1/20 0.36
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34

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
SCHEMBL6909907 1.00 USP30 (0.44) USP30GRM2GRM3TRPM8HDAC1
SCHEMBL6911129 0.92 GRM2 (0.38) USP30GRM2GRM3MEN1KMT2A
SCHEMBL6911124 0.92 GRM2 (0.38) USP30GRM2GRM3MEN1KMT2A
SCHEMBL6913681 0.91 GRM2 (0.37) USP30GRM2GRM3RAB9AMEN1
SCHEMBL6913679 0.91 GRM2 (0.37) USP30GRM2GRM3RAB9AMEN1
SCHEMBL6904297 0.89 GRM2 (0.43) GRM2GRM3MEN1KMT2ASMN1; SMN2
SCHEMBL6904292 0.89 GRM2 (0.43) GRM2GRM3MEN1KMT2ASMN1; SMN2
SCHEMBL6906608 0.89 GRM2 (0.43) USP30GRM2GRM3HDAC4HDAC6
SCHEMBL6906612 0.89 GRM2 (0.43) USP30GRM2GRM3HDAC4HDAC6
SCHEMBL6909757 0.89 GRM2 (0.47) GRM2GRM3RAB9AMEN1KMT2A

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