SCHEMBL7418563

SCHEMBL7418563

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 16/20 0.50
CASP8 Q14790 13/20 0.50
CASP1 P29466 5/20 0.50
CASP7 P55210 5/20 0.50
CASP6 P55212 5/20 0.49
MME P08473 1/20 0.46

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
SCHEMBL7413777 0.88 CASP3 (0.51) CASP3CASP8CASP1CASP7CASP6
SCHEMBL7423249 0.85 CASP1 (0.54) CASP3CASP1CASP7MME
SCHEMBL7423065 0.85 BACE1 (0.57) CASP3CASP1CASP7
SCHEMBL8044073 0.85 CASP1 (0.49) CASP3CASP8CASP1CASP7CASP6
Naphthalene SCHEMBL8414659 0.84 CASP3 (0.58) CASP3CASP8CASP1CASP7CASP6
SCHEMBL7420154 0.82 CASP1 (0.64) CASP3CASP8CASP1CASP7CASP6
SCHEMBL7464267 0.82 CASP3 (0.49) CASP3CASP8CASP1CASP7CASP6
SCHEMBL7415969 0.81 BIRC2 (0.47) CASP3CASP8CASP1CASP7CASP6
SCHEMBL7417678 0.81 MME (0.46) CASP3CASP8CASP1CASP6MME
SCHEMBL7465728 0.81 MME (0.44) CASP3CASP8CASP1CASP6MME

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