SCHEMBL8447138

SCHEMBL8447138

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.58
ACE P12821 9/20 0.58
TACR1 P25103 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
PTPN1 P18031 1/20 0.45
POLB P06746 1/20 0.42
F2 P00734 1/20 0.42
MMP2 P08253 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
FCER2 P06734 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
SCHEMBL8446481 0.93 MME (0.62) MMEACETACR1CTSLCTSB
SCHEMBL8451262 0.90 MME (0.54) MMEACETACR1CTSBPOLB
SCHEMBL7573678 0.90 MME (0.71) MMEACEFCER2
SCHEMBL7573682 0.90 MME (0.71) MMEACEFCER2
SCHEMBL8446463 0.89 MME (0.55) MMEACETACR1CTSLCTSB
SCHEMBL8449480 0.89 MME (0.53) MMEACETACR1CTSLCTSB
SCHEMBL27489674 0.89 MME (0.68) MMEACETACR1CTSLCTSB
SCHEMBL8450109 0.87 MME (0.52) MMEACETACR1CTSLCTSB
SCHEMBL8447131 0.86 MME (0.52) MMEACETACR1CTSLCTSB
SCHEMBL27441340 0.86 MME (0.69) MMEACETACR1CTSLCTSB

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