SCHEMBL8032844

SCHEMBL8032844

CCOC(=O)[C@@H](O)CN(CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 15/20 0.81
ACE P12821 11/20 0.81
FOLH1 Q04609 1/20 0.51
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL8032839 1.00 MME (0.81) MMEACEFOLH1CPA1ACE2
SCHEMBL8032929 0.92 MME (0.69) MMEACEFOLH1CPA1ACE2
SCHEMBL8032932 0.92 MME (0.69) MMEACEFOLH1CPA1ACE2
SCHEMBL8017273 0.91 MME (0.72) MMEACECPA1ACE2
SCHEMBL8017270 0.91 MME (0.72) MMEACECPA1ACE2
SCHEMBL8027331 0.90 MME (0.82) MMEACECPA1ACE2
SCHEMBL8027335 0.90 MME (0.82) MMEACECPA1ACE2
SCHEMBL8033705 0.90 MME (1.00) MMEACEFOLH1CPA1ACE2
SCHEMBL8033709 0.90 MME (1.00) MMEACEFOLH1CPA1ACE2
SCHEMBL8027491 0.89 MME (0.65) MMEACECPA1ACE2CA2

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 2 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
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 EP disclosed