SCHEMBL8027428

SCHEMBL8027428

CN(CC(O)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2cccc3ccccc23)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.47
MME P08473 7/20 0.47
PPARG P37231 5/20 0.47
PPARA Q07869 4/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
ITGB1 P05556 3/20 0.41
ITGA4 P13612 3/20 0.41
ITGB7 P26010 2/20 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
SCHEMBL27543291 0.95 PPARG (0.45) ACEMMEPPARGPPARA
SCHEMBL8029454 0.91 ACE (0.57) ACEMMEPPARGPPARAMEN1
SCHEMBL8027409 0.90 ACE (0.52) ACEMMEPPARGPPARAMEN1
SCHEMBL8027402 0.89 ACE (0.48) ACEMMEPPARGPPARAMEN1
SCHEMBL27463258 0.89 MME (0.64) ACEMMEPPARGPPARAMEN1
SCHEMBL8030383 0.89 MME (0.64) ACEMMEPPARGPPARAMEN1
SCHEMBL8028768 0.88 MME (0.58) ACEMMEPPARGITGB3ITGAV
SCHEMBL8028772 0.88 MME (0.58) ACEMMEPPARGITGB3ITGAV
SCHEMBL8029478 0.87 MME (0.59) ACEMMEMEN1KMT2A
SCHEMBL27462305 0.85 ACE (0.47) ACEMMEPPARGPPARA

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