SCHEMBL6693591

SCHEMBL6693591

C=Cc1ccc(OC(C)(C)OCCCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
AHR P35869 1/20 0.36
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LTA4H P09960 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
PPARA Q07869 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR5A1 Q13285 1/20 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
SCHEMBL6692066 0.97 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6695337 0.95 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6692563 0.92 CHRNA7 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6689706 0.86 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6699133 0.85 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6695786 0.84 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1358902 0.84 TLR4 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6774531 0.83 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6697847 0.83 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6691121 0.83 CHRNB2 (0.40) 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