SCHEMBL8032876

SCHEMBL8032876

CC(C)CN(CC(O)C(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 16/20 0.88
ACE P12821 13/20 0.88
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 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
SCHEMBL8027170 1.00 MME (0.88) MMEACECPA1ACE2
SCHEMBL8032885 1.00 MME (0.88) MMEACECPA1ACE2
SCHEMBL8027090 0.94 MME (1.00) MMEACECPA1ACE2
SCHEMBL8027291 0.94 MME (1.00) MMEACECPA1ACE2
SCHEMBL8033719 0.94 MME (1.00) MMEACECPA1ACE2
SCHEMBL8032863 0.94 MME (1.00) MMEACECPA1ACE2
SCHEMBL8033096 0.94 MME (1.00) MMEACECPA1ACE2
SCHEMBL8028021 0.94 MME (1.00) MMEACECPA1ACE2
SCHEMBL8016997 0.91 MME (0.75) MMEACE
SCHEMBL8029476 0.91 MME (0.75) MMEACE

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