SCHEMBL8519730

SCHEMBL8519730

C[C@H](CS(C)(=O)=O)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)Cc1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 13/20 0.64
CASP3 P42574 6/20 0.50
CASP6 P55212 5/20 0.50
CASP8 Q14790 5/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL7414332 1.00 CASP1 (0.64) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL7420311 0.92 CASP1 (0.62) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL7422766 0.92 CASP1 (0.62) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL7417606 0.91 CASP1 (0.61) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL7422225 0.90 CASP1 (0.70) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL7420794 0.89 CASP1 (0.65) CASP1CASP3CASP6CASP8
SCHEMBL7420714 0.89 CASP1 (0.60) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL7423266 0.88 CASP1 (0.63) CASP1CASP3CASP6CASP8
SCHEMBL7422290 0.88 CASP1 (0.58) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL7416088 0.87 CASP1 (0.64) 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 2 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 disclosed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 WO disclosed