SCHEMBL7464267

SCHEMBL7464267

CC(C)C(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)COC(=O)C(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 10/20 0.49
BACE1 P56817 8/20 0.49
CASP1 P29466 8/20 0.49
CASP7 P55210 5/20 0.49
CASP9 P55211 2/20 0.49
CASP8 Q14790 7/20 0.47
CASP6 P55212 1/20 0.47
BACE2 Q9Y5Z0 2/20 0.46
CTSD P07339 1/20 0.45

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 SCHEMBL8056397 0.88 CASP3 (0.49) CASP3BACE1CASP1CASP7CASP9
SCHEMBL7420154 0.88 CASP1 (0.64) CASP3BACE1CASP1CASP7CASP9
SCHEMBL7423065 0.85 BACE1 (0.57) CASP3BACE1CASP1CASP7CASP9
SCHEMBL7421219 0.82 CASP1 (0.57) CASP3CASP1CASP7CASP9CASP8
SCHEMBL7418563 0.82 CASP3 (0.50) CASP3CASP1CASP7CASP8CASP6
SCHEMBL7418627 0.81 CASP1 (0.53) CASP3CASP1CASP7CASP8CASP6
SCHEMBL8057182 0.80 CASP1 (0.55) CASP3CASP1CASP7CASP9CASP8
SCHEMBL7166887 0.80 CASP3 (0.54) CASP3BACE1CASP1CASP7CASP9
SCHEMBL7382572 0.79 CASP1 (0.54) CASP3BACE1CASP1CASP7CASP9
SCHEMBL7423249 0.77 CASP1 (0.54) CASP3CASP1CASP7

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