SCHEMBL6778627

SCHEMBL6778627

C=Cc1ccc(OC(OCc2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.36
PPARG P37231 6/20 0.36
PPARA Q07869 5/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
LCK P06239 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAOB P27338 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
HPGD P15428 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL6780367 0.82 NR1H4 (0.39) AOC3PPARGPPARASIRT2SIRT1
SCHEMBL2973189 0.81 LCK (0.39) PPARGPPARAALDH1A1TSHRLCK
SCHEMBL6689708 0.81 CHRNB2 (0.40) SIRT2ALDH1A1
SCHEMBL6778044 0.80 SIRT2 (0.42) SIRT2LMNAL3MBTL1NPC1RAB9A
SCHEMBL6741792 0.79 LMNA (0.37) PPARGPPARAALDH1A1TSHRLCK
SCHEMBL6689027 0.78 CHRNB2 (0.41) PPARGPPARAALDH1A1
SCHEMBL6693762 0.77 CHRNB2 (0.40) PPARGPPARAALDH1A1SMN1; SMN2
SCHEMBL16247785 0.77 SLC7A5 (0.45) AOC3ALDH1A1TSHRLMNAL3MBTL1
SCHEMBL6779557 0.77 LMNA (0.36) PPARGPPARAALDH1A1TSHRLCK
SCHEMBL6697875 0.76 ALDH1A1 (0.39) SIRT2ALDH1A1TSHR

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 2 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-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