SCHEMBL4385123

SCHEMBL4385123

O=C(CCCCCCCCCC[n+]1c2ccccc2c(C(=O)Oc2c(Br)cccc2Br)c2ccccc21)ON1C(=O)CCC1=O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.31
PSMB5 P28074 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4370785 0.96 PSMB8 (0.32) PSMB8PSMB5
Iodide SCHEMBL5450561 0.95 PSMB8 (0.31) PSMB8PSMB5
Trifluoromethanesulfonic Acid SCHEMBL1603217 0.92
Trifluoromethanesulfonic Acid SCHEMBL1602667 0.88
SCHEMBL4377347 0.86
SCHEMBL4379714 0.86 CA12 (0.30)
SCHEMBL4382791 0.83 ELANE (0.31) PSMB8PSMB5
Iodide SCHEMBL12096576 0.83 KMT2A (0.32) PSMB8PSMB5KMT2A
SCHEMBL4374679 0.82 CA12 (0.31) PSMB8PSMB5
Trifluoromethanesulfonic Acid SCHEMBL1603406 0.82

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