SCHEMBL6691071

SCHEMBL6691071

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
HIF1A Q16665 3/20 0.33
EPAS1 Q99814 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PPARA Q07869 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL6691121 0.93 CHRNB2 (0.40) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6698188 0.91 CHRNB2 (0.39) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6692475 0.90 CHRNB2 (0.38) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6692508 0.89 CHRNB2 (0.39) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6694167 0.89 CHRNA7 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6692570 0.89 CHRNB2 (0.38) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6774531 0.87 CHRNB2 (0.40) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6778521 0.85 PPARG (0.38) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6694154 0.84 CHRNB2 (0.40) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6695318 0.84 CHRNB2 (0.38) 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