SCHEMBL9575892

SCHEMBL9575892

C=CCSC(N)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
BLM P54132 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
CPB1 P15086 1/20 0.33
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
BHMT Q93088 1/20 0.30

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
SCHEMBL8979305 0.79 CPB1 (0.44) MEN1CYP2C19KMT2ACPB1LMNA
SCHEMBL10503572 0.75 SLC22A6 (0.32) SLC22A6TDP1SMN1; SMN2BHMT
SCHEMBL444402 0.74
SCHEMBL14893185 0.71
SCHEMBL20592372 0.70 CPB1 (0.39) CPB1GABRR1LMNASLC22A6TDP1
SCHEMBL7007331 0.69
SCHEMBL631065 0.69 TRPA1 (0.35) CYP2C19GRIK1GRIK2LMNATDP1
SCHEMBL11666761 0.69 TRPA1 (0.35) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL173836 0.67
SCHEMBL264240 0.67

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
JP-5310687-A None JP disclosed
JP-H05310687-A PRODUCTION OF 3-ALKYLTHIO-AMINOPROPIONIC ACID DERIVATIVE OR ITS SALT JAPAN ENERGY CORP 1993-11-22 JP disclosed