SCHEMBL6690489

SCHEMBL6690489

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A3 P47895 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
TSHR P16473 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
SCHEMBL6697157 0.85 ALDH1A1 (0.37) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6693128 0.85 ALDH1A1 (0.37) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6698183 0.82 CHRNB2 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6698190 0.80 CHRNA7 (0.40) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6691315 0.79 CHRNB2 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5702418 0.78 ALDH1A1 (0.44) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5888379 0.78 ALDH1A1 (0.44) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6691342 0.77 ALDH1A1 (0.31) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6692053 0.76 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6780612 0.76 PPARG (0.39) ALDH1A1MAPTCYP2C19TSHR

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