SCHEMBL4866552

SCHEMBL4866552

CC(S)C(NCCN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.43
GGT1 P19440 1/20 0.41
RNPEP Q9H4A4 2/20 0.35
CPB2 Q96IY4 4/20 0.35
ENPEP Q07075 2/20 0.34
ACE P12821 1/20 0.32
CPB1 P15086 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6684580 1.00 GABRR1 (0.43) GABRR1GGT1RNPEPCPB2ENPEP
SCHEMBL2232653 0.83 GABRR1 (0.46) GABRR1GGT1CPB2SMN1; SMN2ALDH1A1
SCHEMBL3188611 0.83 GABRR1 (0.46) GABRR1GGT1CPB2SMN1; SMN2ALDH1A1
SCHEMBL2232656 0.83 GABRR1 (0.46) GABRR1GGT1CPB2SMN1; SMN2ALDH1A1
SCHEMBL526345 0.82 GABRR1 (0.45) GABRR1GGT1CPB2CPB1SMN1; SMN2
SCHEMBL3470018 0.80 ALDH1A1 (0.52) GABRR1GGT1ENPEPACEALDH1A1
SCHEMBL2153099 0.80 GABRR1 (0.43) GABRR1GGT1CPB2CPB1SMN1; SMN2
SCHEMBL10721413 0.78 GGT1 (0.42) GABRR1GGT1CPB2CPB1LMNA
SCHEMBL17292411 0.75 GGT1 (0.43) GABRR1GGT1CPB2CPB1
Trifluoroacetic Acid SCHEMBL3611486 0.74 GABRR1 (0.38) GABRR1GGT1CPB2SMN1; SMN2ALDH1A1

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-7402407-B1 Chemically targeted positional identification of post-translationally phosphorylated peptides CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-07-22 US disclosed