SCHEMBL7861496

SCHEMBL7861496

C[C@@H](CO[N+](=O)[O-])NC(=O)[C@H](CSC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
CTSK P43235 8/20 0.36
CTSS P25774 7/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
GSTP1 P09211 1/20 0.35
GSTM2 P28161 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CAPN1 P07384 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8582140 0.82 CTSS (0.40) PPARGPPARACTSKCTSSCTSL
SCHEMBL7859125 0.82 CTSK (0.41) PPARGPPARACTSKCTSSCTSL
SCHEMBL7859375 0.81 CA2 (0.45) PPARGPPARACTSKCTSSCTSL
SCHEMBL7853722 0.81 CA2 (0.45) PPARGPPARACTSKCTSSCTSL
SCHEMBL7861485 0.74 CYP2D6 (0.45) PPARGPPARACTSKCTSSCTSL
SCHEMBL8476639 0.74 CYP2D6 (0.45) PPARGPPARACTSKCTSSCTSL
SCHEMBL27670281 0.73 PPARA (0.48) PPARGPPARACTSKCTSSCTSL
SCHEMBL7860189 0.73 PPARA (0.53) PPARGPPARACTSKCTSSCTSL
SCHEMBL2082970 0.73 PPARA (0.53) PPARGPPARACTSKCTSSCTSL
SCHEMBL8581650 0.73 CA2 (0.35) CTSKCTSSCYP2C9CYP2C19CA1

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
EP-0812835-B1 OPTICALLY ACTIVE THIAZOLIDINONE DERIVATIVES SANKYO CO (JP) 2001-05-23 EP disclosed
EP-0812835-A1 OPTICALLY ACTIVE THIAZOLIDINONE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1997-12-17 EP disclosed