SCHEMBL6690530

SCHEMBL6690530

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6697875 0.83 ALDH1A1 (0.39) ALDH1A3SIRT2ALDH1A1CHRNB2CHRNB4
SCHEMBL6689354 0.81 ALDH1A1 (0.38) ALDH1A3SIRT2ALDH1A1CHRNB2CHRNB4
SCHEMBL6694146 0.79 ALDH1A3 (0.43) ALDH1A3SIRT2ALDH1A1CHRNB2CHRNB4
SCHEMBL5901245 0.79 ALDH1A3 (0.46) ALDH1A3SIRT2ALDH1A1CHRNB2CHRNB4
SCHEMBL6689708 0.79 CHRNB2 (0.40) ALDH1A3SIRT2ALDH1A1CHRNB2CHRNB4
SCHEMBL412690 0.78 ALDH1A3 (0.63) ALDH1A3SIRT2ALDH1A1CHRNB2CHRNB4
SCHEMBL6689027 0.76 CHRNB2 (0.41) ALDH1A3ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL21169900 0.76 ALDH1A3 (0.38) ALDH1A3SIRT2ALDH1A1CHRNB2CHRNB4
SCHEMBL6691118 0.75 KMT2A (0.39) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL6693762 0.75 CHRNB2 (0.40) ALDH1A3ALDH1A1CHRNB2CHRNB4CHRNA3

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