SCHEMBL8311397

SCHEMBL8311397

O=C(OCC(Cl)(Cl)Cl)[C@H](CSCc1ccccc1)NC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.45
PPARG P37231 5/20 0.45
ACE P12821 2/20 0.42
PPARD Q03181 2/20 0.41
ELANE P08246 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL8310836 0.83 PPARA (0.51) PPARAPPARGACEPPARD
SCHEMBL8316313 0.83 PPARA (0.67) PPARAPPARGPPARDMAPT
SCHEMBL8313689 0.82 ACE (0.59) PPARAPPARGACEPPARD
SCHEMBL29908062 0.80 PPARA (0.64) PPARAPPARGACEPPARD
Trifluoroacetic Acid SCHEMBL8316396 0.79 IDO1 (0.40) PPARAPPARGPPARD
SCHEMBL13560712 0.78 ACE (0.51) PPARAPPARGACEPPARD
SCHEMBL8314036 0.75 PPARA (0.36) PPARAPPARGACEPPARD
SCHEMBL27981308 0.72 PPARA (0.52) PPARAPPARGACEPPARDELANE
SCHEMBL9425902 0.71 ACE (0.64) PPARAPPARGACEPPARD
SCHEMBL14544522 0.70 MAPT (0.54) PPARAPPARGACEPPARDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724601-A4 S 3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS NEORX CORP (US) 1999-02-03 EP disclosed
US-5684137-A TECHNETIUM AND RHENIUM LABELS FOR LIGANDS AND PROTEINS NEORX CORPORATION (US) 1997-11-04 US disclosed
EP-0724601-A1 S 3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS NEORX CORPORATION (US) 1996-08-07 EP disclosed
WO-1995005398-A1 S3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS NEORX CORPORATION (US) 1995-02-23 WO disclosed