SCHEMBL8033738

SCHEMBL8033738

CCOC(=O)C(O)CN(CC(C)C)C(=O)N[C@@H](Cc1cccc(OC)c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.61
ACE P12821 11/20 0.61
CPA1 P15085 2/20 0.47
ACE2 Q9BYF1 2/20 0.47
PTGES O14684 2/20 0.46
LPAR1 Q92633 1/20 0.44
FPR2 P25090 1/20 0.43

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
SCHEMBL8033742 1.00 MME (0.61) MMEACECPA1ACE2PTGES
SCHEMBL27504890 1.00 MME (0.61) MMEACECPA1ACE2PTGES
SCHEMBL8032883 0.92 MME (0.71) MMEACECPA1ACE2PTGES
SCHEMBL8032875 0.92 MME (0.71) MMEACECPA1ACE2PTGES
SCHEMBL8027491 0.88 MME (0.65) MMEACECPA1ACE2FPR2
SCHEMBL8027487 0.88 MME (0.65) MMEACECPA1ACE2FPR2
SCHEMBL8017270 0.88 MME (0.72) MMEACECPA1ACE2LPAR1
SCHEMBL8017273 0.88 MME (0.72) MMEACECPA1ACE2LPAR1
SCHEMBL8027123 0.86 MME (0.56) MMEACE
SCHEMBL27463689 0.86 MME (0.56) 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 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