SCHEMBL7422225

SCHEMBL7422225

CC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)COC(=O)Cc1cccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 13/20 0.70
CASP3 P42574 6/20 0.54
CASP6 P55212 5/20 0.54
CASP8 Q14790 5/20 0.54
L3MBTL1 Q9Y468 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
SCHEMBL7419508 0.94 CASP1 (0.66) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL8519730 0.90 CASP1 (0.64) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL7414332 0.90 CASP1 (0.64) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL7417899 0.90 CASP1 (0.62) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL7420311 0.90 CASP1 (0.62) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL7417610 0.90 CASP1 (0.62) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL7422766 0.90 CASP1 (0.62) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL7463503 0.90 CASP1 (0.62) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL7419401 0.89 CASP1 (0.67) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL7464783 0.89 CASP1 (0.67) CASP1CASP3CASP6CASP8L3MBTL1

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