SCHEMBL8027409

SCHEMBL8027409

O=C(OCc1ccccc1)C(O)CN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2cccc3ccccc23)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.52
MME P08473 11/20 0.51
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
GPR34 Q9UPC5 2/20 0.40
KLKB1 P03952 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
SCHEMBL27462305 0.95 ACE (0.47) ACEMMEPPARGPPARAKLKB1
SCHEMBL8027312 0.92 ACE (0.61) ACEMMEPPARGPPARAMEN1
SCHEMBL8030383 0.91 MME (0.64) ACEMMEPPARGPPARAMEN1
SCHEMBL27463258 0.91 MME (0.64) ACEMMEPPARGPPARAMEN1
SCHEMBL8027428 0.90 ACE (0.47) ACEMMEPPARGPPARAMEN1
SCHEMBL8017382 0.89 MME (0.63) ACEMMEGPR34
SCHEMBL8017386 0.89 MME (0.63) ACEMMEGPR34
SCHEMBL8017737 0.87 ACE (0.64) ACEMMEMEN1KMT2A
SCHEMBL8027402 0.87 ACE (0.48) ACEMMEPPARGPPARAMEN1
SCHEMBL27441332 0.87 MME (0.57) ACEMMEPPARGPPARAMEN1

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