SCHEMBL22200152

SCHEMBL22200152

C=CC[Si](c1ccccc1)(c1ccccc1)c1ccc(C2CCC([Si](CC=C)(C3CCCCC3)C3CCCCC3)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.33
NPY5R Q15761 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KIF11 P52732 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL22200093 0.77 KIF11 (0.32) SLC18A3NPY5RKIF11
SCHEMBL22200244 0.72 NOS1 (0.31)
SCHEMBL723613 0.70 ALDH1A1 (0.38) CYP2C19HTTL3MBTL1
SCHEMBL2294801 0.69 RAB9A (0.38) CYP2D6CYP2C19KMT2ASMN1; SMN2HIF1A
SCHEMBL22200141 0.66 ALDH1A1 (0.31) KDM4E
Allylbenzene SCHEMBL793624 0.62 SLC18A3 (0.45) SLC18A3CYP2D6CYP2C19KMT2A
SCHEMBL10972485 0.62 ESR2 (0.45) CYP2D6HTTKMT2ATDP1
SCHEMBL2289560 0.61 G6PC1 (0.37) KDM4ESMN1; SMN2
Ethylene SCHEMBL27285762 0.61 SLC18A3 (0.59) SLC18A3CYP2D6CYP2C19SMN1; SMN2
SCHEMBL2289405 0.60 HPGD (0.32) SMN1; SMN2

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
US-20200220222-A1 NONAQUEOUS ELECTROLYTE, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY, AND ENERGY DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2020-07-09 US disclosed