SCHEMBL9315995

SCHEMBL9315995

C=Cc1ccc(OCCC[Si](Cl)(Cl)Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.50
CHRNB2 P17787 2/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNA4 P43681 2/20 0.50
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AHR P35869 1/20 0.35
PRSS1 P07477 2/20 0.34
TMPRSS2 O15393 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL9315813 0.86 CHRNA7 (0.55) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9315980 0.86 CHRNA7 (0.51) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9943360 0.82 CHRNA7 (0.61) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1260922 0.82 CHRNA7 (0.61) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14369373 0.82 CHRNA7 (0.54) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28517708 0.81 CHRNA7 (0.56) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8754087 0.81 CHRNB2 (0.59) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1140632 0.81 CHRNB2 (0.59) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3241666 0.80 CHRNA7 (0.63) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9315472 0.80 FURIN (0.41) HPGDSMN1; SMN2PRSS1MEN1KMT2A

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-5342983-A Polymer reforming agents SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-08-30 US disclosed