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SCHEMBL8520531

SCHEMBL8520531

CC(C)C(C(=O)NC(CC(=O)OC(C)(C)C)C(=O)COC(=O)Cc1cccc2ccccc12)N(N=C=O)C(=O)C(CCC(=O)OC(C)(C)C)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 14/20 0.47
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ CASP3 P42574 4/20 0.34
▸ CASP6 P55212 2/20 0.33
▸ CASP8 Q14790 2/20 0.33
▸ PTPN1 P18031 1/20 0.33

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
SCHEMBL7382191 0.85 CTSS (0.32) CASP1CTSSCTSKCASP3CASP8
SCHEMBL8411108 0.78 CASP1 (0.62) CASP1CASP3
SCHEMBL8411027 0.76 CASP1 (0.47) CASP1CASP3CASP6CASP8
SCHEMBL8411135 0.75 CASP1 (0.79) CASP1
SCHEMBL8410793 0.73 CASP1 (0.55) CASP1CTSSCTSKCASP3CASP6
SCHEMBL8414714 0.72 CASP1 (0.52) CASP1CTSSCTSKCASP3CASP6
SCHEMBL8519168 0.69 CASP1 (0.47) CASP1CTSSCTSKCASP3
SCHEMBL7425226 0.68 CASP1 (0.65) CASP1CASP3CASP6CASP8
SCHEMBL8414939 0.67 CASP1 (0.46) CASP1CTSSCTSKCASP3CASP6
SCHEMBL7409824 0.67 CASP1 (0.74) CASP1CASP3

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