SCHEMBL6773572

SCHEMBL6773572

COc1ccc([S+](C(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1.O=S(=O)([O-])c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 3/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 2/20 0.36
CNR1 P21554 1/20 0.35
KMT2A Q03164 4/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RY11 Q96G91 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
SCHEMBL2903735 0.86 ALDH1A1 (0.36) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL449949 0.81 TDP1 (0.38) MAPTALDH1A1CYP3A4LMNAKDM4E
SCHEMBL6778723 0.80 MAPT (0.50) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3195405 0.79 TDP1 (0.39) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL6784226 0.78 MAPT (0.47) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6880695 0.76 NR4A1 (0.36) MAPTALDH1A1CYP1A2CYP3A4LMNA
SCHEMBL6780533 0.76 KMT2A (0.43) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6776743 0.75 MAPT (0.43) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3205020 0.75 ALDH1A1 (0.37) MAPTALDH1A1CYP1A2CYP3A4KDM4E
Trifluoromethanesulfonic Acid SCHEMBL6779543 0.75 MAPT (0.44) MAPTALDH1A1CYP1A2CYP3A4CYP2C9

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