SCHEMBL8028951

SCHEMBL8028951

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.58
MME P08473 11/20 0.58
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
PPARG P37231 4/20 0.45
PPARA Q07869 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL8027402 0.91 ACE (0.48) ACEMMEOPRM1OPRD1OPRK1
SCHEMBL8029454 0.88 ACE (0.57) ACEMMEITGB1ITGA4PPARG
SCHEMBL8026904 0.88 MME (0.73) ACEMMECPA1ACE2
SCHEMBL8026903 0.88 MME (0.73) ACEMMECPA1ACE2
SCHEMBL8027420 0.87 MME (0.77) ACEMMEPPARGPPARAMEN1
SCHEMBL27446259 0.86 OPRM1 (0.45) ACEMMEOPRM1OPRD1OPRK1
SCHEMBL8030487 0.84 ACE (0.74) ACEMMEOPRM1OPRD1OPRK1
SCHEMBL8027312 0.84 ACE (0.61) ACEMMEITGB1ITGA4PPARG
SCHEMBL8016970 0.84 MME (0.63) ACEMMECPA1ACE2
SCHEMBL8016965 0.84 MME (0.63) 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