SCHEMBL9315909

SCHEMBL9315909

C=Cc1ccc(OCCCC(C)(C)O[SiH3])cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
PPARA Q07869 9/20 0.43
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
APP P05067 9/20 0.36

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
SCHEMBL9315495 0.82 TLR4 (0.39) CHRNB2CHRNA7CHRNA4PPARAALDH1A1
SCHEMBL9314684 0.81 ALDH1A1 (0.31) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6289229 0.78 CHRNA7 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1260922 0.77 CHRNA7 (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9943360 0.77 CHRNA7 (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13626326 0.77 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL413985 0.76 CHRNB2 (0.66) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8754087 0.75 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1140632 0.75 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3241666 0.75 CHRNA7 (0.63) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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