SCHEMBL8447608

SCHEMBL8447608

CC(C)CN(CC(O)C(=O)OCc1ccccc1)C(=O)NC(CC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.47
▸ ACE P12821 6/20 0.47
▸ CTSB P07858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ GPR88 Q9GZN0 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ PTGES O14684 1/20 0.38

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
SCHEMBL8451407 0.94 MME (0.53) MMEACECTSBGPR88PTGES
SCHEMBL8452956 0.93 MME (0.43) MMEACECTSBSMN1; SMN2GPR88
SCHEMBL8452082 0.90 CYP26A1 (0.44) MMEACECTSBPTGES
SCHEMBL8448729 0.89 MME (0.52) MMEACECTSBCASP1PTGES
SCHEMBL8452086 0.89 MME (0.46) MMEACESMN1; SMN2GPR88HSD17B10
SCHEMBL8452366 0.88 MME (0.46) MMEACECTSBSMN1; SMN2GPR88
SCHEMBL8454177 0.87 MME (0.43) MMEACECTSB
SCHEMBL8447368 0.86 MME (0.58) MMEACESMN1; SMN2
SCHEMBL8452362 0.85 MME (0.51) MMEACECTSBCASP1
SCHEMBL8453402 0.84 MME (0.47) MMEACESMN1; SMN2

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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