SCHEMBL6694490

SCHEMBL6694490

C=Cc1ccc(OC(C)(OCC)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALDH1A1 P00352 1/20 0.37
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
FBP1 P09467 1/20 0.33
RELA Q04206 1/20 0.32
ABCB11 O95342 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
HTR2A P28223 1/20 0.30
PMP22 Q01453 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL6695301 0.87 CHRNA7 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6695786 0.86 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6689350 0.83 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6699133 0.83 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6693610 0.82 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6693589 0.81 ALDH1A1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6777721 0.80 PPARG (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6694134 0.80 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6693124 0.79 ALDH1A1 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11303550 0.78 CHRNA7 (0.47) 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