SCHEMBL28518922

SCHEMBL28518922

CCO[Si](CCCNC(=O)OCc1ccc(C(=O)O)cc1)(OCC)OCC.CN(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.42
TGM2 P21980 1/20 0.42
FOLH1 Q04609 2/20 0.41
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
Diethylaniline SCHEMBL28512101 0.91 HTT (0.45) ALDH1A1HPGDMAPTHTTSMN1; SMN2
SCHEMBL28520516 0.90 HTT (0.48) ALDH1A1MAPTHTTSMN1; SMN2L3MBTL1
SCHEMBL2145355 0.84 HTT (0.62) MAPTHTTSMN1; SMN2L3MBTL1LMNA
SCHEMBL17275002 0.83 ALDH1A1 (0.43) ALDH1A1HPGDMAPTHTTSMN1; SMN2
SCHEMBL1546411 0.79 MAPT (0.52) ALDH1A1HPGDMAPTHTTSMN1; SMN2
SCHEMBL17274988 0.76 KMT2A (0.42) ALDH1A1HPGDMAPTHTTSMN1; SMN2
SCHEMBL9609731 0.76 TGM2 (0.47) MAPTHTTSMN1; SMN2L3MBTL1LMNA
SCHEMBL6537376 0.76 HTT (0.44) MAPTHTTSMN1; SMN2L3MBTL1LMNA
SCHEMBL13789649 0.76 HTT (0.44) MAPTHTTSMN1; SMN2L3MBTL1KMT2A
SCHEMBL20774364 0.75 KMT2A (0.60) ALDH1A1HPGDHTTKDM4ENPC1

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-106536599-B Methosilylized imine and urethane polymerized benzoate compounds, uses and compositions thereof 因特奎姆私人控股公司 2021-01-12 CN disclosed