SCHEMBL6778487

SCHEMBL6778487

COc1ccc([S+](C(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
MAOB P27338 1/20 0.44
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
HSD11B1 P28845 1/20 0.41
BMP1 P13497 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL6778723 0.91 MAPT (0.50) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
Trifluoromethanesulfonic Acid SCHEMBL6779543 0.87 MAPT (0.44) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6784226 0.86 MAPT (0.47) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2902133 0.84 HSD11B1 (0.44) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6780533 0.83 KMT2A (0.43) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6776743 0.82 MAPT (0.43) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6784650 0.81 MAPT (0.40) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6778787 0.80 MAPT (0.39) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2898276 0.79 HSD11B1 (0.48) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3143266 0.74 AHR (0.45) ALDH1A1TP53HSD11B1BMP1RAB9A

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