SCHEMBL8414708

SCHEMBL8414708

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.51
PPARG P37231 3/20 0.48
PPARA Q07869 3/20 0.48
CASP3 P42574 10/20 0.46
CASP8 Q14790 8/20 0.46
CASP1 P29466 5/20 0.46
CASP7 P55210 5/20 0.46
PPARD Q03181 2/20 0.44

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
SCHEMBL8414370 0.89 ACE (0.61) ACEPPARGPPARAPPARD
SCHEMBL8414368 0.89 ACE (0.61) ACEPPARGPPARAPPARD
SCHEMBL8413468 0.83 PPARG (0.46) ACEPPARGPPARACASP3CASP8
SCHEMBL8413555 0.81 CYP2D6 (0.34)
SCHEMBL8410793 0.80 CASP1 (0.55) ACEPPARGPPARACASP3CASP8
SCHEMBL17261861 0.78 CTSK (0.52) CASP1
SCHEMBL6158897 0.78 MMP9 (0.45) CASP1
SCHEMBL7428604 0.78 MMP9 (0.45) CASP1
SCHEMBL79537 0.77 CASP1 (0.54) PPARACASP1
SCHEMBL79538 0.77 CASP1 (0.54) PPARACASP1

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