SCHEMBL28512454

SCHEMBL28512454

C=Cc1ccc(OCCCBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.54
CHRNB4 P30926 3/20 0.54
CHRNA3 P32297 3/20 0.54
CHRNB2 P17787 2/20 0.54
CHRNA4 P43681 2/20 0.54
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
AHR P35869 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KCNA3 P22001 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL28984606 0.94 CHRNB2 (0.53) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL18598400 0.92 CHRNB2 (0.51) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL21183209 0.92 CHRNB2 (0.51) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL9772848 0.92 CHRNB2 (0.51) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7993720 0.90 CHRNA7 (0.56) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL9943360 0.87 CHRNA7 (0.61) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1260922 0.87 CHRNA7 (0.61) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL8754087 0.85 CHRNB2 (0.59) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1140632 0.85 CHRNB2 (0.59) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3241666 0.85 CHRNA7 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112299965-B Tetraphenyl ethylene-based material and method for detecting temperature and organic solvent steam 安徽科技学院 2022-11-22 CN disclosed
CN-112299965-A Tetraphenyl ethylene-based material and method for detecting temperature and organic solvent steam 安徽科技学院 2021-02-02 CN disclosed