SCHEMBL8028774

SCHEMBL8028774

CC(C)CN(C[C@H](O)C(=O)O)C(=O)N[C@@H](Cc1ccc(-c2ccc(O)cc2)cc1)C(=O)O

nearest known ligand 0.93

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 17/20 0.93
ACE P12821 13/20 0.93
FOLH1 Q04609 1/20 0.53
CPA1 P15085 3/20 0.47
ACE2 Q9BYF1 3/20 0.47

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
SCHEMBL8028765 1.00 MME (0.93) MMEACEFOLH1CPA1ACE2
SCHEMBL8033709 0.96 MME (1.00) MMEACEFOLH1CPA1ACE2
SCHEMBL8033705 0.96 MME (1.00) MMEACEFOLH1CPA1ACE2
SCHEMBL8033719 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL8028021 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL8027090 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL8027291 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL8032863 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL8033096 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL8027184 0.91 MME (0.87) MMEACECPA1ACE2

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