SCHEMBL8030600

SCHEMBL8030600

CC(C)CN(CC(O)C(N)=O)C(=O)N[C@@H](Cc1ccc(-c2cccc3ccccc23)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.67
ACE P12821 13/20 0.67
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NTSR1 P30989 2/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41

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
SCHEMBL8029482 0.94 MME (0.58) MMEACEPPARGPPARA
SCHEMBL8027420 0.94 MME (0.77) MMEACEPPARGPPARAMEN1
SCHEMBL8448363 0.93 MME (0.67) MMEACEPPARGPPARA
SCHEMBL8028717 0.93 MME (0.67) MMEACEPPARGPPARA
SCHEMBL8017230 0.90 MME (0.66) MMEACEPPARGPPARAMEN1
SCHEMBL8027268 0.89 MME (0.65) MMEACEPPARGPPARA
SCHEMBL8030383 0.89 MME (0.64) MMEACEPPARGPPARAMEN1
SCHEMBL27463258 0.89 MME (0.64) MMEACEPPARGPPARAMEN1
SCHEMBL8016940 0.88 MME (0.85) MMEACECPA1ACE2
SCHEMBL8016944 0.88 MME (0.85) MMEACECPA1ACE2

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