SCHEMBL8450834

SCHEMBL8450834

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.61
ACE P12821 11/20 0.61
TACR1 P25103 2/20 0.52
CTSB P07858 2/20 0.48
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
F2 P00734 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 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
SCHEMBL7573782 0.95 MME (0.68) MMEACETACR1CTSBCTSL
SCHEMBL7573777 0.95 MME (0.68) MMEACETACR1CTSBCTSL
SCHEMBL8450800 0.89 MME (0.59) MMEACETACR1CTSBMEN1
SCHEMBL27489674 0.86 MME (0.68) MMEACETACR1CTSBCTSL
SCHEMBL8453146 0.86 MME (0.62) MMEACETACR1CTSBCTSL
SCHEMBL8446481 0.85 MME (0.62) MMEACETACR1CTSBCTSL
SCHEMBL8032641 0.85 MME (0.81) MMEACETACR1CTSBCTSL
SCHEMBL8016985 0.85 MME (0.81) MMEACETACR1CTSBCTSL
SCHEMBL8026927 0.85 MME (0.81) MMEACETACR1CTSBCTSL
SCHEMBL8027177 0.85 MME (0.81) MMEACETACR1CTSBCTSL

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