SCHEMBL28035994

SCHEMBL28035994

CC(=O)O[C@]1(C)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSK P43235 1/20 0.36
JAK3 P52333 2/20 0.34
HPGD P15428 1/20 0.34
EPHX1 P07099 1/20 0.33
PREP P48147 1/20 0.31
EPHX2 P34913 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5493670 0.79 GRIN2B (0.39) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL9696799 0.79 GRIN2B (0.39) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL475482 0.78 GRIN2B (0.44) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL14828669 0.78 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL15116613 0.78 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL15116470 0.78 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL932957 0.77 GRIN2B (0.43) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL3427580 0.76 GRIN2B (0.39) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL4730578 0.76 GRIN2B (0.42) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL8528362 0.76 GRIN2B (0.45) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK

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-104926793-A Tumor-treating compound and application thereof HINOVA PHARMA INC 2015-09-23 CN disclosed