SCHEMBL10498366

SCHEMBL10498366

CC(C[C@@](C)(N)C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.43
GGT1 P19440 1/20 0.42
NOS2 P35228 2/20 0.39
NOS1 P29475 1/20 0.39
ARG1 P05089 1/20 0.38
ARG2 P78540 1/20 0.38
CYP1A2 P05177 2/20 0.38
ENPEP Q07075 2/20 0.38
BLM P54132 2/20 0.37
LTA4H P09960 1/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EGFR P00533 1/20 0.34
FYN P06241 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 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
SCHEMBL10443300 1.00 GABRR1 (0.43) GABRR1GGT1NOS2NOS1ARG1
SCHEMBL1300782 1.00 GABRR1 (0.43) GABRR1GGT1NOS2NOS1ARG1
SCHEMBL11170346 0.82 ENPEP (0.53) GABRR1GGT1NOS2NOS1ARG1
SCHEMBL181332 0.81 GGT1 (0.45) GGT1NOS2NOS1ARG1ARG2
SCHEMBL160650 0.81 GGT1 (0.45) GGT1NOS2NOS1ARG1ARG2
SCHEMBL160649 0.81 GGT1 (0.45) GGT1NOS2NOS1ARG1ARG2
SCHEMBL25660925 0.81 GABRR1 (0.46) GABRR1CYP1A2ENPEPBLMLTA4H
SCHEMBL10879775 0.81 GABRR1 (0.46) GABRR1CYP1A2ENPEPBLMLTA4H
Hydrochloric Acid SCHEMBL1025465 0.79 GGT1 (0.43) GGT1NOS2NOS1ARG1ARG2
Hydrochloric Acid SCHEMBL8995749 0.79 GGT1 (0.43) GGT1NOS2NOS1ARG1ARG2

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
JP-1055192-A None JP disclosed