SCHEMBL8027451

SCHEMBL8027451

CC(C)CN(CC(O)C(=O)O)C(=O)N[C@@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)NO

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.72
ACE P12821 13/20 0.72
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
FCER2 P06734 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL8030325 0.94 MME (0.63) MMEACEHDAC1HDAC6FCER2
SCHEMBL8017211 0.93 MME (0.72) MMEACEHDAC1HDAC6CPA1
SCHEMBL8027344 0.92 MME (0.85) MMEACECPA1ACE2
SCHEMBL8027300 0.92 MME (0.85) MMEACEFCER2CPA1ACE2
SCHEMBL8033058 0.92 MME (0.83) MMEACECPA1ACE2
SCHEMBL8033048 0.92 MME (0.83) MMEACECPA1ACE2
SCHEMBL8453353 0.90 MME (0.74) MMEACEHDAC1HDAC6FCER2
SCHEMBL8027474 0.90 MME (0.74) MMEACEHDAC1HDAC6FCER2
SCHEMBL8028762 0.87 MME (0.70) MMEACEHDAC1HDAC6CPA1
SCHEMBL8447391 0.87 MME (0.70) MMEACEHDAC1HDAC6CPA1

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