SCHEMBL5614536

SCHEMBL5614536

CSCCC(C)(N)C(=O)O.CSCCC(C)(N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.52
ARG1 P05089 1/20 0.47
ARG2 P78540 1/20 0.47
NOS2 P35228 5/20 0.41
NOS1 P29475 3/20 0.41
NOS3 P29474 1/20 0.41
BLM P54132 2/20 0.37
RNPEP Q9H4A4 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 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
GAA P10253 1/20 0.34
MAPT P10636 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
SCHEMBL162368 1.00 GGT1 (0.52) GGT1ARG1ARG2NOS2NOS1
SCHEMBL243496 1.00 GGT1 (0.52) GGT1ARG1ARG2NOS2NOS1
SCHEMBL5614525 1.00 GGT1 (0.52) GGT1ARG1ARG2NOS2NOS1
SCHEMBL162014 1.00 GGT1 (0.52) GGT1ARG1ARG2NOS2NOS1
Hydrochloric Acid SCHEMBL13585526 0.98 GGT1 (0.50) GGT1ARG1ARG2NOS2NOS1
SCHEMBL4263059 0.90 GGT1 (0.44) GGT1ARG1ARG2NOS2NOS1
SCHEMBL29054949 0.89 GGT1 (0.43) GGT1ARG1ARG2NOS2NOS1
SCHEMBL2720103 0.89 ARG1 (0.47) GGT1ARG1ARG2NOS2NOS1
SCHEMBL11192504 0.82 NOS1 (0.33) GGT1ARG1ARG2NOS2NOS1
SCHEMBL8687592 0.80 GGT1 (0.65) GGT1ARG1ARG2NOS2NOS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747269-A2 RECOMBINANT ENZYME WITH ALTERED FEEDBACK SENSITIVITY Metabolic Explorer (FR) 2007-01-31 EP disclosed
WO-2005108561-A2 RECOMBINANT ENZYME WITH ALTERED FEEDBACK SENSITIVITY METABOLIC EXPLORER (FR) 2005-11-17 WO disclosed