SCHEMBL8453838

SCHEMBL8453838

CC(C)CN(CC(O)C(=O)O)C(=O)NOC(=O)CCC(=O)ONC(=O)N(CC(C)C)CC(O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 7/20 0.45
▸ ACE P12821 6/20 0.45
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ LAP3 P28838 2/20 0.32

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
SCHEMBL8452159 0.90 MME (0.44) MMEACECA12CA1CA2
SCHEMBL8455322 0.83 MME (0.35) MMEACE
SCHEMBL8448584 0.75 MME (0.35) MMEACECA12CA1CA2
SCHEMBL8033718 0.74 MME (0.56) MMEACECA12CA1CA2
SCHEMBL8033722 0.74 MME (0.56) MMEACECA12CA1CA2
SCHEMBL8452153 0.74 MME (0.46) MMEACECA12CA1CA2
SCHEMBL8030358 0.72 MME (0.43) MMEACE
SCHEMBL8030354 0.72 MME (0.43) MMEACE
SCHEMBL8027558 0.72 MME (0.53) MMEACECA12CA1CA2
SCHEMBL8027559 0.72 MME (0.53) MMEACECA12CA1CA2

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-5891912-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-04-06 — — US disclosed
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