SCHEMBL8446468

SCHEMBL8446468

CC(C)CN(CC(CCCCc1ccccc1)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.51
ACE P12821 4/20 0.51
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
CTSB P07858 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8449459 0.97 MME (0.52) MMEACEMMP1MMP3MMP9
SCHEMBL8451289 0.96 MME (0.52) MMEACEMMP1MMP3MMP9
SCHEMBL8452236 0.94 MME (0.53) MMEACEPSEN1PSEN2APH1B
SCHEMBL8446417 0.92 MME (0.52) MMEACEMMP1MMP3MMP9
SCHEMBL7572812 0.92 MME (0.61) MMEACEMMP1MMP3MMP9
SCHEMBL8451858 0.92 MME (0.55) MMEACEPSEN1PSEN2APH1B
SCHEMBL8452877 0.91 MME (0.56) MMEACEMMP1MMP3MMP9
SCHEMBL7568216 0.90 MME (0.62) MMEACEMMP1MMP3MMP9
SCHEMBL8453223 0.89 MME (0.52) MMEACEMMP1MMP3MMP9
SCHEMBL8448662 0.89 MME (0.57) 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