SCHEMBL7420154

SCHEMBL7420154

CC(C)C(NC(=O)C(CCC(=O)O)NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)COC(=O)C(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 13/20 0.64
CASP3 P42574 9/20 0.64
CASP9 P55211 6/20 0.64
CASP7 P55210 6/20 0.64
CASP10 Q92851 3/20 0.52
MME P08473 2/20 0.51
ECE1 P42892 2/20 0.51
CASP4 P49662 3/20 0.51
CASP8 Q14790 2/20 0.50
CASP5 P51878 1/20 0.50
CASP6 P55212 1/20 0.50
BACE1 P56817 1/20 0.49

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
Naphthalene SCHEMBL8414904 0.88 CASP1 (0.64) CASP1CASP3CASP9CASP7CASP4
SCHEMBL7464267 0.88 CASP3 (0.49) CASP1CASP3CASP9CASP7CASP8
SCHEMBL7423249 0.88 CASP1 (0.54) CASP1CASP3CASP7MMEECE1
SCHEMBL7423065 0.87 BACE1 (0.57) CASP1CASP3CASP9CASP7BACE1
SCHEMBL30002726 0.87 CASP3 (0.69) CASP1CASP3CASP9CASP7CASP10
SCHEMBL29362585 0.86 CASP3 (0.76) CASP1CASP3CASP9CASP7CASP10
SCHEMBL17326941 0.85 CASP3 (0.72) CASP1CASP3CASP9CASP7CASP10
SCHEMBL20239336 0.85 CASP3 (0.71) CASP1CASP3CASP9CASP7CASP10
SCHEMBL29732392 0.85 CASP3 (0.71) CASP1CASP3CASP9CASP7CASP10
SCHEMBL7418130 0.84 CASP1 (0.72) CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 EP claimed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 WO claimed
WO-2001019373-A2 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
EP-0998300-A1 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
EP-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 EP disclosed
WO-1998041232-A2 COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 WO disclosed