SCHEMBL8450105

SCHEMBL8450105

CC(C)CN(CCC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.54
ACE P12821 6/20 0.53
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
CTSB P07858 2/20 0.45
TACR1 P25103 2/20 0.45
PTPN1 P18031 1/20 0.44
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
MBTPS1 Q14703 1/20 0.41
CASP1 P29466 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
SCHEMBL7567870 0.95 MME (0.61) MMEACEHDAC1HDAC6CTSB
SCHEMBL8453146 0.93 MME (0.62) MMEACECTSBTACR1PTPN1
SCHEMBL8451194 0.93 MME (0.57) MMEACEHDAC1HDAC6CTSB
SCHEMBL8452063 0.93 MME (0.57) MMEACEHDAC1HDAC6CTSB
SCHEMBL27464916 0.89 MME (0.63) MMEACEHDAC1HDAC6CTSB
SCHEMBL8450117 0.89 MME (0.48) MMEACECTSBTACR1MBTPS1
SCHEMBL8446447 0.89 MME (0.59) MMEACECTSBTACR1CTSL
SCHEMBL8452065 0.88 MME (0.54) MMEACEHDAC1HDAC6CTSB
SCHEMBL8446430 0.88 MME (0.52) MMEACECTSBTACR1MBTPS1
SCHEMBL8446424 0.88 MME (0.54) MMEACEHDAC1HDAC6CTSB

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