SCHEMBL8027264

SCHEMBL8027264

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

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 13/20 0.74
MME P08473 13/20 0.74
CPA1 P15085 2/20 0.55
ACE2 Q9BYF1 2/20 0.55
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
PIN1 Q13526 2/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL8027141 0.91 MME (0.63) ACEMMECPA1ACE2
SCHEMBL8017170 0.89 MME (0.61) ACEMMECPA1ACE2MMP9
SCHEMBL8033727 0.86 MME (0.62) ACEMME
SCHEMBL8033733 0.86 MME (0.62) ACEMME
SCHEMBL8028710 0.86 ACE (0.80) ACEMMECPA1ACE2PIN1
SCHEMBL8027283 0.86 MME (0.75) ACEMMECPA1ACE2MMP9
SCHEMBL8027310 0.85 MME (0.72) ACEMMECPA1ACE2
SCHEMBL8027314 0.85 MME (0.72) ACEMMECPA1ACE2
SCHEMBL6440665 0.85 MME (1.00) ACEMMECPA1ACE2PIN1
SCHEMBL8027151 0.85 MME (1.00) ACEMMECPA1ACE2PIN1

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-0738711-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2000-03-08 EP disclosed
CN-1138321-A 1, 3-dialkyl urea derivative with hydrocarbon group SANTAN PHARMACEUTICAL CO LTD (JP) 1996-12-18 CN disclosed
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 EP disclosed