SCHEMBL6692563

SCHEMBL6692563

C=Cc1ccc(OC(C)(C)OCCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
CHRNA10 Q9GZZ6 2/20 0.32

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
SCHEMBL6693591 0.92 CHRNB2 (0.43) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6692066 0.89 CHRNB2 (0.41) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6695337 0.88 CHRNB2 (0.40) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6699133 0.86 CHRNB2 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6694167 0.84 CHRNA7 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6695301 0.84 CHRNA7 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6691071 0.83 CHRNA7 (0.41) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1360519 0.83 TP53 (0.40) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6698190 0.81 CHRNA7 (0.40) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6698188 0.80 CHRNB2 (0.39) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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