SCHEMBL6694444

SCHEMBL6694444

C=Cc1ccc(OC(C)(CC)OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

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 3/20 0.38
HIF1A Q16665 3/20 0.35
EPAS1 Q99814 3/20 0.35
TRPA1 O75762 1/20 0.32
TSHR P16473 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FBP1 P09467 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
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
SCHEMBL6694154 0.87 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6690479 0.85 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6694134 0.85 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6691149 0.84 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6692579 0.82 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6694167 0.82 CHRNA7 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6689706 0.82 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1360853 0.81 TDP1 (0.40) CHRNA7ALDH1A1TRPA1TP53CYP3A4
SCHEMBL1992995 0.80 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6697847 0.80 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 8 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
US-5627006-A ALKENYLOXY-SUBSTITUTED POLYVINYLPHENOLS, PHOTOSENSITIVE ACID GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-06 US disclosed
EP-0552548-B1 Resist material WAKO PURE CHEM IND LTD (JP) 1997-03-19 EP disclosed
EP-0552548-A1 Resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1993-07-28 EP disclosed