SCHEMBL8017444

SCHEMBL8017444

CCOC(=O)C(O)CN(CC(C)C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.83
ACE P12821 10/20 0.83
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
HRH4 Q9H3N8 1/20 0.44
TACR1 P25103 1/20 0.44
MMP9 P14780 3/20 0.43
MMP8 P22894 2/20 0.42
MMP14 P50281 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MMP2 P08253 1/20 0.40

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
SCHEMBL27547831 1.00 MME (0.83) MMEACECPA1ACE2HRH4
SCHEMBL8451438 0.94 MME (0.83) MMEACECPA1ACE2HRH4
SCHEMBL8027294 0.94 MME (0.83) MMEACECPA1ACE2HRH4
SCHEMBL27464096 0.91 MME (0.68) MMEACECPA1ACE2HRH4
SCHEMBL8017267 0.91 MME (1.00) MMEACECPA1ACE2HRH4
SCHEMBL8027391 0.90 MME (0.80) MMEACECPA1ACE2HRH4
SCHEMBL27446785 0.90 MME (0.80) MMEACECPA1ACE2HRH4
SCHEMBL27489673 0.90 MME (0.67) MMEACECPA1ACE2TACR1
SCHEMBL8027261 0.88 MME (0.80) MMEACECPA1ACE2HRH4
SCHEMBL8027102 0.88 MME (0.86) MMEACECPA1ACE2HRH4

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