SCHEMBL7423249

SCHEMBL7423249

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 13/20 0.54
CASP3 P42574 2/20 0.52
MME P08473 1/20 0.51
ECE1 P42892 1/20 0.51
CASP7 P55210 1/20 0.50
REN P00797 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
SCHEMBL7420154 0.88 CASP1 (0.64) CASP1CASP3MMEECE1CASP7
Naphthalene SCHEMBL7418235 0.87 CASP1 (0.55) CASP1CASP3
SCHEMBL14070409 0.86 CASP3 (0.56) CASP1CASP3CASP7REN
SCHEMBL7415301 0.86 CASP1 (0.73) CASP1CASP3CASP7
SCHEMBL24213871 0.85 CASP3 (0.56) CASP1CASP3CASP7
SCHEMBL7472606 0.85 CASP3 (0.56) CASP1CASP3CASP7REN
SCHEMBL17494194 0.85 CASP3 (0.56) CASP1CASP3CASP7
SCHEMBL14646635 0.85 CASP3 (0.56) CASP1CASP3CASP7
SCHEMBL7418563 0.85 CASP3 (0.50) CASP1CASP3MMECASP7
SCHEMBL614741 0.85 CASP3 (0.62) CASP1CASP3MMEECE1CASP7

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