SCHEMBL8027283

SCHEMBL8027283

CC(C)N(CC(O)C(=O)O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.75
ACE P12821 13/20 0.75
CPA1 P15085 2/20 0.55
ACE2 Q9BYF1 2/20 0.55
CA2 P00918 1/20 0.51
PIN1 Q13526 3/20 0.48
MMP9 P14780 1/20 0.47
MMP8 P22894 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
SCHEMBL8016955 0.92 MME (0.64) MMEACECPA1ACE2
SCHEMBL8030684 0.90 MME (0.62) MMEACECPA1ACE2CA2
SCHEMBL8016965 0.87 MME (0.63) MMEACECPA1ACE2
SCHEMBL8016970 0.87 MME (0.63) MMEACECPA1ACE2
SCHEMBL8027264 0.86 ACE (0.74) MMEACECPA1ACE2CA2
SCHEMBL8026904 0.86 MME (0.73) MMEACECPA1ACE2
SCHEMBL8026903 0.86 MME (0.73) MMEACECPA1ACE2
SCHEMBL6440665 0.86 MME (1.00) MMEACECPA1ACE2PIN1
SCHEMBL8027151 0.86 MME (1.00) MMEACECPA1ACE2PIN1
SCHEMBL8030485 0.86 MME (1.00) MMEACECPA1ACE2PIN1

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