SCHEMBL28402017

SCHEMBL28402017

C=C([SiH3])c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.56
CES1 P23141 2/20 0.56
SRD5A2 P31213 2/20 0.48
GSK3B P49841 2/20 0.47
PTPN1 P18031 2/20 0.47
KIF11 P52732 3/20 0.44
ORAI1 Q96D31 1/20 0.44
ORAI2 Q96SN7 1/20 0.44
ORAI3 Q9BRQ5 1/20 0.44
TRPV6 Q9H1D0 1/20 0.44
MGLL Q99685 1/20 0.44
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP1 P03956 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
SCHEMBL28243558 0.82 CES2 (0.58) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL1474670 0.78 CES2 (0.54) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL22746994 0.78 CES2 (0.54) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL928167 0.78 CES2 (0.54) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL4088597 0.76 CES2 (0.64) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL28402174 0.75 LMNA (0.50) SRD5A2TSHRALDH1A1MEN1HPGD
SCHEMBL3588964 0.75 CES2 (0.50) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL16225728 0.75 TRPV6 (0.50) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL28668106 0.75 ALDH1A1 (0.54) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL10945003 0.75 CES2 (0.50) CES2CES1SRD5A2GSK3BPTPN1

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-111187292-B Method for synthesizing alpha-vinyl silane under heterogeneous condition 广西师范大学 2021-04-16 CN disclosed
CN-111187292-A Method for synthesizing α -vinyl silane under heterogeneous condition 广西师范大学 2020-05-22 CN disclosed