SCHEMBL8029454

SCHEMBL8029454

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.57
MME P08473 11/20 0.57
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ITGB1 P05556 2/20 0.45
ITGA4 P13612 2/20 0.45
ITGB7 P26010 1/20 0.44
ACE2 Q9BYF1 2/20 0.43
CPA1 P15085 1/20 0.43

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
SCHEMBL8027428 0.91 ACE (0.47) ACEMMEPPARGPPARAMEN1
SCHEMBL8027312 0.88 ACE (0.61) ACEMMEPPARGPPARAMEN1
SCHEMBL8028951 0.88 ACE (0.58) ACEMMEPPARGPPARAMEN1
SCHEMBL8027420 0.87 MME (0.77) ACEMMEPPARGPPARAMEN1
SCHEMBL8027314 0.87 MME (0.72) ACEMMEACE2CPA1
SCHEMBL8027310 0.87 MME (0.72) ACEMMEACE2CPA1
SCHEMBL27543291 0.85 PPARG (0.45) ACEMMEPPARGPPARA
SCHEMBL8032846 0.84 ACE (0.74) ACEMMEMEN1KMT2AACE2
SCHEMBL8027141 0.83 MME (0.63) ACEMMEACE2CPA1
SCHEMBL8033727 0.83 MME (0.62) ACEMME

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