SCHEMBL8922965

SCHEMBL8922965

CN(CC1SC(C)(C)SC1C(=O)O)C(CSCc1ccccc1)C(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL8922775 0.86
SCHEMBL8922340 0.72
SCHEMBL8314036 0.72 PPARA (0.36) PPARGPPARAL3MBTL1
SCHEMBL9586113 0.71 METAP2 (0.33) PPARGPPARA
SCHEMBL8310836 0.66 PPARA (0.51) PPARGPPARA
SCHEMBL8310840 0.66 PPARA (0.42) PPARGPPARA
SCHEMBL8311397 0.63 PPARA (0.45) PPARGPPARA
Trifluoroacetic Acid SCHEMBL8316396 0.63 IDO1 (0.40) PPARGPPARA
SCHEMBL8316313 0.62 PPARA (0.67) PPARGPPARA
SCHEMBL29908062 0.61 PPARA (0.64) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684137-A TECHNETIUM AND RHENIUM LABELS FOR LIGANDS AND PROTEINS NEORX CORPORATION (US) 1997-11-04 US disclosed
US-5252721-A S3 N chelating compounds NEORX CORPORATION (US) 1993-10-12 US disclosed