SCHEMBL6690487

SCHEMBL6690487

C=Cc1ccc(OC(CCC)OCCCCCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
PLA2G4B P0C869 2/20 0.36
NR5A1 Q13285 1/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 1/20 0.36
CNR2 P34972 2/20 0.36
AHR P35869 1/20 0.35
RARB P10826 3/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6694233 0.99 TAS1R3 (0.40) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6693687 0.96 TAS1R3 (0.41) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6691980 0.94 CHRNB2 (0.38) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6699716 0.93 CHRNB2 (0.39) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL5900788 0.90 CHRNB2 (0.39) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6694528 0.90 CHRNB2 (0.41) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL5901129 0.89 CHRNB2 (0.40) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6690536 0.88 CHRNB2 (0.42) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6694092 0.86 CHRNB2 (0.40) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL5900961 0.85 CHRNB2 (0.42) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3

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