SCHEMBL8450826

SCHEMBL8450826

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.44
ACE P12821 5/20 0.44
FDFT1 P37268 2/20 0.38
CTSB P07858 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACACB O00763 2/20 0.35
ACACA Q13085 1/20 0.35
CPA1 P15085 1/20 0.34
CPA2 P48052 1/20 0.34
CPA4 Q9UI42 1/20 0.34
RORC P51449 1/20 0.34
REN P00797 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL8453137 0.95 MME (0.43) MMEACEFDFT1CTSBNPC1
SCHEMBL8446429 0.95 MME (0.46) MMEACEFDFT1CTSBACACB
SCHEMBL8446421 0.87 MME (0.43) MMEACEFDFT1CTSBACACB
SCHEMBL8451834 0.87 MME (0.44) MMEACEFDFT1CTSBNPC1
SCHEMBL7567664 0.87 MME (0.61) MMEACECPA1
SCHEMBL7567672 0.87 MME (0.61) MMEACECPA1
SCHEMBL8446410 0.86 MME (0.53) MMEACEFDFT1CTSBCPA1
SCHEMBL8447133 0.86 MME (0.42) MMEACECTSBCPA1CPA2
SCHEMBL8453065 0.84 MME (0.51) MMEACEFDFT1CTSB
SCHEMBL8450819 0.84 MME (0.50) MMEACECTSBCPA1CPA2

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