SCHEMBL27809644

SCHEMBL27809644

CC(CCN)C(C(=O)O)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.48
PMP22 Q01453 1/20 0.41
GABBR2 O75899 2/20 0.38
GABBR1 Q9UBS5 2/20 0.38
GSR P00390 1/20 0.36
SLC7A5 Q01650 1/20 0.34
GCLC P48506 1/20 0.33
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
RNPEP Q9H4A4 1/20 0.31
THRB P10828 1/20 0.31
BHMT Q93088 1/20 0.31
BHMT2 Q9H2M3 1/20 0.31
GRM4 Q14833 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
SCHEMBL7590782 0.72 GABRR1 (0.48) GABRR1PMP22GABBR2GABBR1GSR
SCHEMBL8018052 0.70 GABRR1 (0.56) GABRR1GABBR2GABBR1GSRSLC7A5
SCHEMBL3515974 0.70 GABRR1 (0.56) GABRR1GABBR2GABBR1GSRSLC7A5
SCHEMBL2424605 0.70 GABRR1 (0.56) GABRR1GABBR2GABBR1GSRSLC7A5
SCHEMBL2324416 0.70 GABRR1 (0.56) GABRR1GABBR2GABBR1GSRSLC7A5
SCHEMBL2334387 0.70 GABRR1 (0.56) GABRR1GABBR2GABBR1GSRSLC7A5
SCHEMBL2330401 0.70 GABRR1 (0.56) GABRR1GABBR2GABBR1GSRSLC7A5
SCHEMBL6264201 0.69 TP53 (0.43) PMP22SLC7A5
Hydrochloric Acid SCHEMBL8667200 0.68 GABRR1 (0.54) GABRR1GABBR2GABBR1GSRSLC7A5
Hydrochloric Acid SCHEMBL9114616 0.68 GABRR1 (0.54) GABRR1GABBR2GABBR1GSRSLC7A5

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
CN-102076666-A Aminopyridine derivatives VANTIA LTD 2011-05-25 CN disclosed