SCHEMBL8414482

SCHEMBL8414482

COC(=O)C1CCCCC1C(=O)NC(CC(=O)OC(C)(C)C)C(=O)COC(=O)Cc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.49
CACNA1B Q00975 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.39
HPGD P15428 1/20 0.39
MCL1 Q07820 1/20 0.39
KDM4E B2RXH2 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NR2F2 P24468 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8411506 0.92 CASP1 (0.52) CASP1CACNA1BL3MBTL1HPGDMCL1
SCHEMBL8410991 0.92 CASP1 (0.49) CASP1CACNA1BL3MBTL1HPGDMCL1
SCHEMBL8414656 0.90 CASP1 (0.49) CASP1CACNA1BL3MBTL1HPGDMCL1
SCHEMBL7420312 0.90 CASP1 (0.61) CASP1L3MBTL1HPGDMCL1
SCHEMBL7416118 0.82 CASP1 (0.65) CASP1L3MBTL1KDM4EALDH1A1
SCHEMBL8414377 0.80 CASP1 (0.48) CASP1CACNA1BL3MBTL1HPGDMCL1
SCHEMBL7419115 0.80 CASP1 (0.62) CASP1L3MBTL1MEN1ALDH1A1LMNA
SCHEMBL7413349 0.78 CASP1 (0.62) CASP1L3MBTL1MEN1ALDH1A1LMNA
SCHEMBL8411135 0.78 CASP1 (0.79) CASP1
SCHEMBL8414714 0.78 CASP1 (0.52) CASP1L3MBTL1HPGDMCL1CTSS

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