SCHEMBL6689350

SCHEMBL6689350

C=Cc1ccc(OC(C)(OCCCCC)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
NR5A1 Q13285 1/20 0.34
LTA4H P09960 2/20 0.33
AHR P35869 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31

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
SCHEMBL6693610 0.99 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6695786 0.97 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6695301 0.90 CHRNA7 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6692066 0.85 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6697847 0.84 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6695337 0.84 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6694490 0.83 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6692479 0.83 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6693591 0.82 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6692475 0.82 CHRNB2 (0.38) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770780-B1 QUATERNIZATION OF T-BUTYL BROMOACETATE WITH TRI(N-BUTYL)PHOSPHINE TO FORM PHOSPHONIUM SALT; REACTING WITH BASE TO FORM PHOSPHORUS YLIDE; FORMING 2,4,6-TRIS(3', 5'-DI-T-BUTYL-4'-HYDROXYBENZYL)METHYL-STYRENE; HYDROLYSIS JSR CORPORATION (JP) 2004-08-03 US disclosed
EP-0959389-B1 Diazodisulfone compound and radiation-sensitive resin composition JSR CORP (JP) 2004-03-31 EP disclosed
EP-1231205-A1 VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2002-08-14 EP disclosed
US-6143460-A PHOTOACID GENERATOR PROVIDING IMPROVED PHOTORESIST RESOLUTION JSR CORPORATION (JP) 2000-11-07 US disclosed
EP-0959389-A1 Diazodisulfone compound and radiation-sensitive resin composition JSR Corporation (JP) 1999-11-24 EP disclosed