SCHEMBL8449852

SCHEMBL8449852

CC(C)CCC(CN(CC(C)C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)OC(C)(C)C)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.54
ACE P12821 5/20 0.54
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CACNA1B Q00975 4/20 0.43
PSEN1 P49768 4/20 0.42
PSEN2 P49810 4/20 0.42
APH1B Q8WW43 4/20 0.42
NCSTN Q92542 4/20 0.42
APH1A Q96BI3 4/20 0.42
PSENEN Q9NZ42 4/20 0.42
HDAC1 Q13547 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41

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
SCHEMBL8447140 0.94 MMP3 (0.52) MMEACEMMP1MMP3MMP9
SCHEMBL8450793 0.89 MME (0.54) MMEACEMMP1MMP3MMP9
SCHEMBL7574113 0.88 MME (0.65) MMEACECTSSCTSKCACNA1B
SCHEMBL7570068 0.88 MME (0.70) MMEACEMMP9
SCHEMBL7570067 0.88 MME (0.70) MMEACEMMP9
SCHEMBL7567643 0.87 MME (0.52) MMEACEMMP1MMP3MMP9
SCHEMBL8450816 0.86 MME (0.53) MMEACEMMP1MMP3MMP9
SCHEMBL8452236 0.86 MME (0.53) MMEACECTSSCTSKCACNA1B
SCHEMBL8446448 0.85 MME (0.52) MMEACEMMP1MMP3MMP9
SCHEMBL8447214 0.85 MME (0.55) MMEACEMMP1MMP3MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed