SCHEMBL7415301

SCHEMBL7415301

CC(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(=O)NC(CC(=O)O)C(=O)COC(=O)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 19/20 0.73
▸ CASP3 P42574 2/20 0.51
▸ CASP4 P49662 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CASP9 P55211 1/20 0.50
▸ CASP8 Q14790 1/20 0.50
▸ CASP10 Q92851 1/20 0.50

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
SCHEMBL7420285 0.96 CASP1 (0.79) CASP1CASP3CASP4CASP7CASP9
SCHEMBL7423249 0.86 CASP1 (0.54) CASP1CASP3CASP7
Naphthalene SCHEMBL7418235 0.86 CASP1 (0.55) CASP1CASP3
SCHEMBL14070409 0.86 CASP3 (0.56) CASP1CASP3CASP4CASP7CASP9
SCHEMBL8043992 0.85 CASP1 (1.00) CASP1
SCHEMBL24213871 0.85 CASP3 (0.56) CASP1CASP3CASP7CASP9CASP8
SCHEMBL7472606 0.85 CASP3 (0.56) CASP1CASP3CASP4CASP7CASP9
SCHEMBL14646635 0.85 CASP3 (0.56) CASP1CASP3CASP7CASP9CASP8
SCHEMBL17494194 0.85 CASP3 (0.56) CASP1CASP3CASP7CASP9CASP8
SCHEMBL614741 0.84 CASP3 (0.62) CASP1CASP3CASP4CASP7CASP9

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
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