SCHEMBL8446429

SCHEMBL8446429

CC(=O)NCCOC(=O)[C@@H](Cc1ccccc1)CN(CC(C)C)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.46
ACE P12821 5/20 0.46
FDFT1 P37268 2/20 0.39
CTSB P07858 1/20 0.38
ACACB O00763 2/20 0.36
ACACA Q13085 1/20 0.36
RORC P51449 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
SCHEMBL8450826 0.95 MME (0.44) MMEACEFDFT1CTSBACACB
SCHEMBL8453137 0.94 MME (0.43) MMEACEFDFT1CTSBACACB
SCHEMBL8446421 0.89 MME (0.43) MMEACEFDFT1CTSBACACB
SCHEMBL8451834 0.88 MME (0.44) MMEACEFDFT1CTSBACACB
SCHEMBL7567282 0.87 MME (0.62) MMEACE
SCHEMBL7567275 0.87 MME (0.62) MMEACE
SCHEMBL8447179 0.86 MME (0.55) MMEACEFDFT1CTSB
SCHEMBL8447133 0.84 MME (0.42) MMEACECTSB
SCHEMBL8451283 0.83 MME (0.53) MMEACEFDFT1
SCHEMBL8446428 0.83 MME (0.52) MMEACECTSB

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