SCHEMBL8450816

SCHEMBL8450816

CC(C)CN(CC(C(=O)NO)C(C)c1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.53
ACE P12821 3/20 0.53
MMP9 P14780 2/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
CTSS P25774 1/20 0.43
CTSK P43235 1/20 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
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
PAX8 Q06710 1/20 0.42
HDAC1 Q13547 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
SCHEMBL8449852 0.86 MME (0.54) MMEACEMMP9MMP1MMP3
SCHEMBL8446448 0.84 MME (0.52) MMEACEMMP9MMP1MMP3
SCHEMBL8447140 0.84 MMP3 (0.52) MMEACEMMP9MMP1MMP3
SCHEMBL8447424 0.83 MME (0.54) MMEACEMMP9MMP1MMP3
SCHEMBL8027115 0.83 MME (0.77) MMEACECTSSCTSKPSEN1
SCHEMBL27464921 0.81 MME (0.65) MMEACECTSSCTSKPSEN1
SCHEMBL7567643 0.81 MME (0.52) MMEACEMMP9MMP1MMP3
SCHEMBL8017187 0.80 MME (0.78) MMEACECTSSCTSKPSEN1
SCHEMBL27464914 0.80 MME (0.57) MMEACEMMP9MMP1MMP3
SCHEMBL27464915 0.80 MME (0.57) MMEACEMMP9MMP1MMP3

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