SCHEMBL8446463

SCHEMBL8446463

CC(C)CN(CC(CCc1ccccc1)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.55
ACE P12821 6/20 0.55
TACR1 P25103 1/20 0.47
CTSB P07858 2/20 0.44
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
CTSK P43235 1/20 0.44
PTPN1 P18031 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL7566348 0.93 ACE (0.65) MMEACECTSBCTSSCTSK
SCHEMBL8451289 0.91 MME (0.52) MMEACECTSBCTSSCTSK
SCHEMBL8446481 0.91 MME (0.62) MMEACETACR1CTSBCTSS
SCHEMBL8446416 0.90 MME (0.55) MMEACETACR1CTSBCTSS
SCHEMBL8447138 0.89 MME (0.58) MMEACETACR1CTSBCTSS
SCHEMBL8447214 0.89 MME (0.55) MMEACECTSBCTSSCTSL
SCHEMBL8449480 0.88 MME (0.53) MMEACETACR1CTSBCTSS
SCHEMBL8446417 0.87 MME (0.52) MMEACECTSBMMP1MMP3
SCHEMBL8449459 0.87 MME (0.52) MMEACECTSBMMP1MMP3
SCHEMBL8450109 0.87 MME (0.52) MMEACETACR1CTSBCTSS

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