SCHEMBL6779557

SCHEMBL6779557

C=Cc1ccc(OC(CCC)OCc2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 5/20 0.36
PPARA Q07869 5/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
RCE1 Q9Y256 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
NR1H4 Q96RI1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CTRC Q99895 1/20 0.34
MAPT P10636 1/20 0.34
LCK P06239 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
SCHEMBL6781472 0.92 PPARG (0.38) LMNAL3MBTL1PPARGPPARARCE1
SCHEMBL6741792 0.89 LMNA (0.37) LMNAL3MBTL1PPARGPPARARCE1
SCHEMBL6699138 0.83 TAS1R3 (0.40) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL18154475 0.82 TAS1R3 (0.44) PPARGPPARATAS1R3TAS1R1CHRNB2
SCHEMBL6690536 0.81 CHRNB2 (0.42) PPARGPPARATAS1R3TAS1R1CHRNB2
SCHEMBL6777747 0.80 SIRT2 (0.39) LMNAL3MBTL1PPARGPPARACHRNB4
SCHEMBL2973189 0.80 LCK (0.39) LMNAL3MBTL1PPARGPPARARCE1
SCHEMBL6693687 0.80 TAS1R3 (0.41) LMNAPPARGPPARATAS1R3TAS1R1
SCHEMBL7209894 0.79 PPARA (0.43) PPARGPPARACHRNB2CHRNB4CHRNA3
SCHEMBL6695340 0.78 TAS1R3 (0.41) 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 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