SCHEMBL4382791

SCHEMBL4382791

O=C(CCC[n+]1c2ccccc2c(C(=O)Oc2c(C(F)(F)F)cccc2C(F)(F)F)c2ccccc21)ON1C(=O)CCC1=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.31
PSMB8 P28062 1/20 0.31
PSMB5 P28074 1/20 0.31

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
SCHEMBL4377347 0.96
Trifluoromethanesulfonic Acid SCHEMBL1603301 0.94
Trifluoromethanesulfonic Acid SCHEMBL1603406 0.91
SCHEMBL4370785 0.86 PSMB8 (0.32) PSMB8PSMB5
Iodide SCHEMBL5450561 0.85 PSMB8 (0.31) PSMB8PSMB5
Trifluoromethanesulfonic Acid SCHEMBL1602667 0.84
SCHEMBL4374679 0.83 CA12 (0.31) PSMB8PSMB5
SCHEMBL4385123 0.83 PSMB8 (0.31) PSMB8PSMB5
Trifluoromethanesulfonic Acid SCHEMBL1603139 0.82 CA12 (0.31)
SCHEMBL14454543 0.82 MGLL (0.32) ELANE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658503-B1 CHEMILUMINESCENT COMPOUNDS MOLECULAR LIGHT TECH RES LTD (GB) 2009-11-18 EP claimed