SCHEMBL8446405

SCHEMBL8446405

CO[C@@H](CN(CC(C)C)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.48
ACE P12821 4/20 0.48
CTSB P07858 1/20 0.42
CTSL P07711 1/20 0.40
CTSK P43235 1/20 0.40
FDFT1 P37268 1/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CAPN1 P07384 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL8450803 0.93 MME (0.48) MMEACECTSBCTSLCTSK
SCHEMBL8446471 0.91 MME (0.47) MMEACECTSBCTSLCTSK
SCHEMBL8446382 0.90 MME (0.51) MMEACECTSBCTSLCTSK
SCHEMBL7570171 0.86 MME (0.66) MMEACECTSB
SCHEMBL7570166 0.86 MME (0.66) MMEACECTSB
SCHEMBL8450247 0.86 MME (0.47) MMEACECTSBCTSLCTSK
SCHEMBL8449676 0.86 MME (0.48) MMEACECTSBFDFT1
SCHEMBL8451198 0.85 MME (0.48) MMEACECTSBCTSLCTSK
SCHEMBL8446404 0.85 MME (0.59) MMEACECTSBCTSLCTSK
SCHEMBL8447086 0.84 MME (0.44) MMEACECTSBFDFT1GAA

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