SCHEMBL8447809

SCHEMBL8447809

CCOC(=O)C(O)CN(CC(C)C)C(=O)NC(CCC(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.44
▸ ACE P12821 6/20 0.44
▸ CASR P41180 1/20 0.39
▸ GPR88 Q9GZN0 3/20 0.39
▸ MMP8 P22894 1/20 0.38
▸ CTSB P07858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8452086 0.89 MME (0.46) MMEACEGPR88MMP8HSD17B10
SCHEMBL8447886 0.89 MME (0.56) MMEACECASRGPR88CTSB
SCHEMBL8447834 0.81 CYP26A1 (0.45) MMEACEPOLB
SCHEMBL8451866 0.80 MME (0.50) MMEACEPOLB
SCHEMBL8452846 0.79 POLB (0.43) MMEACEGPR88POLB
SCHEMBL8447801 0.79 MME (0.52) MMEACEPOLB
SCHEMBL8447781 0.79 FFAR1 (0.42) MMEACEPOLB
SCHEMBL8447608 0.78 MME (0.47) MMEACEGPR88CTSBHSD17B10
SCHEMBL8447368 0.77 MME (0.58) MMEACE
SCHEMBL8032958 0.77 MME (0.58) MMEACE

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-5891912-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-04-06 — — US disclosed
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