SCHEMBL8310840

SCHEMBL8310840

CN(CC(Cl)(Cl)Cl)[C@@H](CSCc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.42
PPARG P37231 3/20 0.42
ACE P12821 2/20 0.41
CYP2C19 P33261 1/20 0.39
PPARD Q03181 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
METAP2 P50579 1/20 0.37

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
SCHEMBL8311399 0.82 PPARA (0.37) PPARAPPARGACECYP2C19PPARD
SCHEMBL8310839 0.77 ACE (0.42) PPARAPPARGACECYP2C19
SCHEMBL8922764 0.76 PPARG (0.42) PPARAPPARGACECYP2C19PPARD
SCHEMBL6372914 0.72 PPARA (0.47) PPARAPPARGACEALDH1A1METAP2
SCHEMBL4462979 0.71 PPARG (0.40) PPARAPPARGACECYP2C19PPARD
SCHEMBL8314036 0.71 PPARA (0.36) PPARAPPARGACECYP2C19PPARD
SCHEMBL1741031 0.70 ACE (0.58) PPARAPPARGACECYP2C19METAP2
SCHEMBL10268771 0.70 ACE (0.58) PPARAPPARGACECYP2C19METAP2
SCHEMBL1357871 0.70 ACE (0.58) PPARAPPARGACECYP2C19METAP2
SCHEMBL5418068 0.69 CYP1A2 (0.55) PPARAPPARGACECYP2C19

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