SCHEMBL7708214

SCHEMBL7708214

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44
PTPN1 P18031 3/20 0.41
GAA P10253 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CNR1 P21554 1/20 0.34
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 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
Trifluoromethanesulfonic Acid SCHEMBL8081855 0.87 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8320132 0.85 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoromethanesulfonic Acid SCHEMBL8862208 0.83 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoromethanesulfonic Acid SCHEMBL8862138 0.83 PTPN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoromethanesulfonic Acid SCHEMBL3197613 0.83 PTPN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoromethanesulfonic Acid SCHEMBL8862161 0.83 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoromethanesulfonic Acid SCHEMBL8862201 0.83 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoromethanesulfonic Acid SCHEMBL8862183 0.83 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8649908 0.83 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7702924 0.81 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed