SCHEMBL8313689

SCHEMBL8313689

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.59
PPARA Q07869 6/20 0.58
PPARG P37231 4/20 0.58
PPARD Q03181 2/20 0.53
FOLH1 Q04609 1/20 0.51

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
SCHEMBL9425902 0.87 ACE (0.64) ACEPPARAPPARGPPARD
SCHEMBL13560712 0.87 ACE (0.51) ACEPPARAPPARGPPARD
SCHEMBL9171784 0.83 ACE (0.60) ACEPPARAPPARGPPARD
SCHEMBL9165661 0.83 ACE (0.60) ACEPPARAPPARGPPARD
SCHEMBL11516592 0.83 ACE (0.60) ACEPPARAPPARGPPARD
SCHEMBL8311397 0.82 PPARA (0.45) ACEPPARAPPARGPPARD
SCHEMBL11516645 0.81 ACE (0.60) ACEPPARAPPARGPPARD
SCHEMBL8658899 0.81 ACE (0.63) ACEPPARAPPARGPPARDFOLH1
SCHEMBL7282451 0.81 ACE (0.67) ACEPPARAPPARGPPARD
SCHEMBL8658895 0.81 ACE (0.63) ACEPPARAPPARGPPARDFOLH1

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