SCHEMBL8413468

SCHEMBL8413468

CC(CNC(CC(=O)OC(C)(C)C)C(=O)CBr)CSCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.46
PPARA Q07869 7/20 0.46
PPARD Q03181 2/20 0.42
ACE P12821 1/20 0.39
AKT1 P31749 1/20 0.38
CASP3 P42574 6/20 0.38
CASP8 Q14790 5/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
IDO1 P14902 1/20 0.36

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
SCHEMBL8414708 0.83 ACE (0.51) PPARGPPARAPPARDACECASP3
SCHEMBL8413592 0.76 HDAC3 (0.33)
SCHEMBL8414368 0.74 ACE (0.61) PPARGPPARAPPARDACE
SCHEMBL8414370 0.74 ACE (0.61) PPARGPPARAPPARDACE
SCHEMBL79537 0.73 CASP1 (0.54) PPARACASP1
SCHEMBL79538 0.73 CASP1 (0.54) PPARACASP1
SCHEMBL7433684 0.72 CASP1 (0.40) PPARGPPARAACEAKT1CASP1
SCHEMBL7382447 0.70 CYP2D6 (0.38)
SCHEMBL17261861 0.70 CTSK (0.52) CASP1
SCHEMBL19385923 0.70 PPARG (0.56) PPARGPPARAPPARDIDO1

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-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 EP disclosed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 WO disclosed