SCHEMBL7572397

SCHEMBL7572397

CC(C)CN(CCC(=O)O)C(=O)N[C@@H](Cc1cc(O)ccc1-c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.51
MME P08473 11/20 0.51
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
CTSB P07858 1/20 0.40
FOLH1 Q04609 1/20 0.39
LPAR1 Q92633 1/20 0.37
MMP1 P03956 1/20 0.37

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
SCHEMBL7567834 0.90 MME (0.50) ACEMMECPA1ACE2CTSB
SCHEMBL7573605 0.89 MME (0.47) ACEMMECTSBLPAR1
SCHEMBL7567661 0.89 MME (0.49) ACEMMECPA1ACE2CTSB
SCHEMBL7566385 0.89 MME (0.52) ACEMMECPA1ACE2
SCHEMBL7575117 0.89 MME (0.49) ACEMMECPA1ACE2CTSB
SCHEMBL7568664 0.87 MME (0.49) ACEMMECPA1ACE2CTSB
SCHEMBL7567107 0.85 MME (0.46) ACEMMECPA1ACE2
SCHEMBL7565255 0.81 MME (0.69) ACEMMECPA1ACE2CTSB
SCHEMBL7573789 0.80 MME (0.46) ACEMMECTSBLPAR1
SCHEMBL7570085 0.80 MME (0.47) ACEMMECTSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798291-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2002-09-11 EP disclosed
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed