SCHEMBL8033727

SCHEMBL8033727

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

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.62
ACE P12821 8/20 0.62
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
PTPN1 P18031 1/20 0.48
NAALAD2 Q9Y3Q0 1/20 0.48

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
SCHEMBL8033733 1.00 MME (0.62) MMEACEPSMB1PSMB5PSMB2
SCHEMBL8027314 0.93 MME (0.72) MMEACE
SCHEMBL8027310 0.93 MME (0.72) MMEACE
SCHEMBL8027205 0.89 MME (0.51) MMEACEPSMB1PSMB5PSMB2
SCHEMBL8027201 0.89 MME (0.51) MMEACEPSMB1PSMB5PSMB2
SCHEMBL8027264 0.86 ACE (0.74) MMEACE
SCHEMBL8027141 0.85 MME (0.63) MMEACE
SCHEMBL8030332 0.85 MME (0.68) MMEACENPSR1PTPN1
SCHEMBL8030328 0.85 MME (0.68) MMEACENPSR1PTPN1
SCHEMBL8028768 0.84 MME (0.58) 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