SCHEMBL8414656

SCHEMBL8414656

CC(C)(C)OC(=O)CC(NC(=O)C1CCCC1C(N)=O)C(=O)COC(=O)Cc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.49
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
NR2F2 P24468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CACNA1B Q00975 1/20 0.38
FNTA P49354 1/20 0.38
PGGT1B P53609 1/20 0.38
HPGD P15428 1/20 0.37
MCL1 Q07820 1/20 0.37
KDM4E B2RXH2 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL8410991 0.98 CASP1 (0.49) CASP1ALDH1A1MEN1MAPTKMT2A
SCHEMBL8411506 0.91 CASP1 (0.52) CASP1ALDH1A1L3MBTL1CTSSCTSK
SCHEMBL8414482 0.90 CASP1 (0.49) CASP1ALDH1A1MEN1MAPTKMT2A
SCHEMBL7413349 0.89 CASP1 (0.62) CASP1ALDH1A1MEN1MAPTKMT2A
SCHEMBL7419115 0.87 CASP1 (0.62) CASP1ALDH1A1MEN1MAPTKMT2A
SCHEMBL8414377 0.85 CASP1 (0.48) CASP1ALDH1A1MEN1MAPTKMT2A
SCHEMBL8414714 0.81 CASP1 (0.52) CASP1ALDH1A1MEN1MAPTKMT2A
SCHEMBL7416118 0.80 CASP1 (0.65) CASP1ALDH1A1L3MBTL1KDM4E
SCHEMBL7420312 0.79 CASP1 (0.61) CASP1L3MBTL1HPGDMCL1
SCHEMBL8411135 0.78 CASP1 (0.79) CASP1

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