SCHEMBL9315980

SCHEMBL9315980

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.51
CHRNB4 P30926 3/20 0.51
CHRNA3 P32297 3/20 0.51
CHRNB2 P17787 2/20 0.51
CHRNA4 P43681 2/20 0.51
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP19A1 P11511 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
AHR P35869 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 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
SCHEMBL9315813 0.90 CHRNA7 (0.55) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL9315995 0.86 CHRNA7 (0.50) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL14369373 0.86 CHRNA7 (0.54) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL16923164 0.86 CYP19A1 (0.44) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2
SCHEMBL28363157 0.83 ALDH1A1 (0.57) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL4372162 0.82 CHRNA7 (0.50) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL9315913 0.82 CHRNA7 (0.50) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL9315802 0.81 TLR4 (0.41) CHRNA7ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL10601196 0.81 CHRNA7 (0.56) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL8776463 0.80 CHRNA7 (0.51) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4

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