SCHEMBL6780533

SCHEMBL6780533

COc1ccc([S+](C(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1.O=S(=O)([O-])c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
MAOB P27338 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
EPHX2 P34913 1/20 0.39
BMP1 P13497 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL2898284 0.86 GAA (0.49) KMT2AGAAMAPTMAOBKDM4E
Trifluoromethanesulfonic Acid SCHEMBL6779543 0.83 MAPT (0.44) KMT2AGAAMAPTLMNAMAOB
SCHEMBL6778487 0.83 MAPT (0.46) KMT2AGAAMAPTLMNAMAOB
SCHEMBL6784226 0.82 MAPT (0.47) KMT2AGAAMAPTLMNAMEN1
SCHEMBL6778723 0.82 MAPT (0.50) KMT2AGAAMAPTLMNAMAOB
SCHEMBL450233 0.81 GAA (0.53) KMT2AGAAMAPTLMNAMAOB
SCHEMBL6776743 0.79 MAPT (0.43) KMT2AGAAMAPTLMNAMAOB
SCHEMBL3183361 0.79 GAA (0.51) KMT2AGAAMAPTLMNAMAOB
SCHEMBL6784650 0.78 MAPT (0.40) KMT2AGAAMAPTLMNAMAOB
SCHEMBL6778787 0.77 MAPT (0.39) KMT2AGAAMAPTLMNAMAOB

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