SCHEMBL6832902

SCHEMBL6832902

CC(C)C[C@H](NC(=O)Cc1ccccc1-c1ccccc1)C(=O)C(C(=O)CF)C(N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
FNTA P49354 3/20 0.38
FNTB P49356 3/20 0.38
PGGT1B P53609 3/20 0.38
PSMB5 P28074 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.36
KCNA5 P22460 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
CLPP Q16740 2/20 0.36
CTSL P07711 1/20 0.35
NTSR1 P30989 3/20 0.35
PLA2G2A P14555 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
SCHEMBL6830895 0.84 CASP3 (0.43) FNTAFNTBPGGT1BKCNA5CLPP
SCHEMBL7418205 0.83 LMNA (0.53) KMT2ALMNARAB9A
SCHEMBL7201963 0.78 CASP3 (0.48) MMEACECPA1ACE2PSMB5
SCHEMBL7201964 0.78 CASP3 (0.48) MMEACECPA1ACE2PSMB5
SCHEMBL6830923 0.75 LMNA (0.42) MMEACECPA1ACE2KMT2A
SCHEMBL6832903 0.73 KCNA5 (0.39) MMEACECPA1ACE2FNTA
SCHEMBL7361590 0.70 ALDH1A1 (0.50) MMEACECPA1ACE2FNTA
SCHEMBL8353758 0.68 CASP3 (0.46) MMEACECPA1ACE2PSMB5
SCHEMBL9824719 0.67 POLB (0.53) MMEACECPA1ACE2PSMB5
SCHEMBL9824722 0.67 POLB (0.53) MMEACECPA1ACE2PSMB5

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-1480999-A2 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals (US) 2004-12-01 EP disclosed
WO-2003072528-A2 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2003-09-04 WO disclosed