SCHEMBL21183209

SCHEMBL21183209

C=Cc1ccc(OCCCCCCBr)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
HTT P42858 1/20 0.42
PRMT1 Q99873 3/20 0.42
F2 P00734 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
PLAU P00749 1/20 0.42
GAA P10253 1/20 0.42
PRMT5 O14744 1/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
TMPRSS2 O15393 1/20 0.42
PTP4A3 O75365 1/20 0.42
SLC22A3 O75751 1/20 0.42
F10 P00742 1/20 0.42
PLG P00747 1/20 0.42
S100B P04271 1/20 0.42

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
SCHEMBL18598400 1.00 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9772848 1.00 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL28984606 0.98 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL28512454 0.92 CHRNA7 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1140632 0.90 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8754087 0.90 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1260922 0.88 CHRNA7 (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7993720 0.86 CHRNA7 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22269652 0.85 CHRNA7 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9943360 0.84 CHRNA7 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3663368-A1 METHOD FOR PRODUCING INK COMPOSITON AND ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2020-06-10 EP disclosed
EP-3514140-A1 FLUORINE-BASED COMPOUND, ORGANIC LIGHT-EMITTING DEVICE USING SAME AND METHOD FOR PREPARING SAME LG Chem, Ltd. (KR) 2019-07-24 EP disclosed