SCHEMBL8030487

SCHEMBL8030487

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

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.74
MME P08473 9/20 0.74
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
HRH4 Q9H3N8 1/20 0.49
MMP9 P14780 2/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
PIN1 Q13526 1/20 0.42
CTNNB1 P35222 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8028696 0.89 MME (0.60) ACEMMECPA1ACE2HRH4
SCHEMBL8032846 0.86 ACE (0.74) ACEMMECPA1ACE2HRH4
SCHEMBL8017267 0.85 MME (1.00) ACEMMECPA1ACE2HRH4
SCHEMBL8028951 0.84 ACE (0.58) ACEMMECPA1ACE2OPRM1
SCHEMBL27444751 0.84 MME (0.55) ACEMMECPA1ACE2HRH4
SCHEMBL8016965 0.83 MME (0.63) ACEMMECPA1ACE2
SCHEMBL8016970 0.83 MME (0.63) ACEMMECPA1ACE2
SCHEMBL8027462 0.81 MME (0.77) ACEMMECPA1ACE2HRH4
SCHEMBL8027283 0.81 MME (0.75) ACEMMECPA1ACE2MMP9
SCHEMBL8026903 0.80 MME (0.73) ACEMMECPA1ACE2

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