SCHEMBL28050210

SCHEMBL28050210

COC(=O)CC(=CN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TSHR P16473 5/20 0.40
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 1/20 0.33
POLB P06746 1/20 0.32
POLA1 P09884 1/20 0.32
SLC1A1 P43005 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TET2 Q6N021 1/20 0.31
ABAT P80404 1/20 0.31
BRD4 O60885 1/20 0.31
GRIA2 P42262 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
SCHEMBL30904963 0.81 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL5472413 0.77 TSHR (0.60) MGAMGAASIMGAM2TSHR
SCHEMBL10259507 0.77 TSHR (0.60) MGAMGAASIMGAM2TSHR
SCHEMBL15741505 0.77 TSHR (0.60) MGAMGAASIMGAM2TSHR
SCHEMBL31362035 0.76 TSHR (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL9179834 0.75 TSHR (0.56) TSHRHSD17B10KDM4ELMNAGRIK1
SCHEMBL10696055 0.75 TSHR (0.56) TSHRHSD17B10KDM4ELMNAGRIK1
SCHEMBL30904961 0.74 GRIK1 (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL30904962 0.74 GRIK1 (0.47) MGAMGAASIMGAM2TSHR
SCHEMBL10382305 0.74 GRIK1 (0.48) MGAMGAASIMGAM2TSHR

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
CN-105308078-A Polymer derived from acrylonitrile COMMW SCIENT IND RES ORG 2016-02-03 CN claimed
CN-105308078-A Polymer derived from acrylonitrile COMMW SCIENT IND RES ORG 2016-02-03 CN disclosed