SCHEMBL8451445

SCHEMBL8451445

CCOC(=O)C(O)CN(CC(C)C)C(=O)NCC(C)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.36
▸ ACE P12821 6/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ REN P00797 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL8452172 0.85 MME (0.45) MMEACECYP2D6CYP2C19
SCHEMBL8027100 0.82 MME (0.49) MMEACEKDM4EALDH1A1HSD17B10
SCHEMBL8027105 0.82 MME (0.49) MMEACEKDM4EALDH1A1HSD17B10
SCHEMBL27464505 0.78 MME (0.44) MMEACEKDM4EALDH1A1
SCHEMBL8027297 0.78 MME (0.44) MMEACEKDM4EALDH1A1
SCHEMBL8027302 0.78 MME (0.44) MMEACEKDM4EALDH1A1
SCHEMBL8452086 0.76 MME (0.46) MMEACEKDM4EALDH1A1HSD17B10
SCHEMBL8026913 0.76 MME (0.43) MMEACEALDH1A1
SCHEMBL27464506 0.76 MME (0.43) MMEACEALDH1A1
SCHEMBL8026918 0.76 MME (0.43) MMEACEALDH1A1

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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