SCHEMBL8414714

SCHEMBL8414714

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.52
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
NR2F2 P24468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASP3 P42574 4/20 0.41
CASP6 P55212 3/20 0.41
CASP8 Q14790 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
HPGD P15428 1/20 0.39
MCL1 Q07820 1/20 0.39
PKM P14618 1/20 0.37

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
SCHEMBL7419508 0.89 CASP1 (0.66) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL8410793 0.85 CASP1 (0.55) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL7422225 0.83 CASP1 (0.70) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL8414939 0.82 CASP1 (0.46) CASP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL8411027 0.82 CASP1 (0.47) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL8411135 0.81 CASP1 (0.79) CASP1
SCHEMBL8410991 0.81 CASP1 (0.49) CASP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL8414656 0.81 CASP1 (0.49) CASP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL7414545 0.80 CASP1 (0.64) CASP1CASP3CASP6CASP8L3MBTL1
SCHEMBL8414377 0.80 CASP1 (0.48) CASP1MEN1ALDH1A1MAPTKMT2A

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