SCHEMBL6694601

SCHEMBL6694601

C=Cc1ccc(OC(C)(C)OC2CCCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 2/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
CHRNA10 Q9GZZ6 1/20 0.31
CHRNA9 Q9UGM1 1/20 0.31
CYP1A2 P05177 1/20 0.30
HTT P42858 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
SCHEMBL6697794 0.98 POLB (0.34) ALDH1A1CHRNB4CHRNA3CHRNA7CHRNB2
SCHEMBL6695291 0.85 ALDH1A1 (0.32) ALDH1A1CHRNB4CHRNA3CHRNA7CHRNB2
SCHEMBL6692559 0.84 HPGD (0.32) ALDH1A1CHRNB4CHRNA3CHRNA7CHRNB2
SCHEMBL6691342 0.82 ALDH1A1 (0.31) ALDH1A1CHRNB4CHRNA3CHRNA7CHRNB2
SCHEMBL6698245 0.82 CHRNB2 (0.35) ALDH1A1CHRNB4CHRNA3CHRNA7CHRNB2
SCHEMBL2881928 0.82 HPGD (0.32) ALDH1A1CHRNB4CHRNA3CHRNA7CHRNB2
SCHEMBL6689020 0.81 HPGD (0.31) POLBMAPTHPGD
SCHEMBL6699720 0.81 CHRNB2 (0.35) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL1361193 0.81 TP53 (0.36) ALDH1A1POLBMAPTRAB9ANPC1
SCHEMBL6690480 0.80 CHRNB2 (0.34) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4

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