SCHEMBL6694528

SCHEMBL6694528

C=Cc1ccc(OC(CCCC)OCCCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

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
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
AHR P35869 1/20 0.37
ALDH1A1 P00352 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
SLC2A1 P11166 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL6699716 0.97 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6691980 0.96 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6694092 0.95 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6693687 0.94 TAS1R3 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6694233 0.91 TAS1R3 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6697119 0.91 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6690487 0.90 TAS1R3 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5900961 0.89 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5901129 0.87 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6690536 0.86 CHRNB2 (0.42) 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