SCHEMBL8032886

SCHEMBL8032886

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

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.62
ACE P12821 12/20 0.62
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
PTPN1 P18031 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
SCHEMBL8017966 0.94 MME (0.63) MMEACEPSEN1PSEN2APH1B
SCHEMBL27463687 0.93 MME (0.52) MMEACEPSEN1PSEN2APH1B
SCHEMBL8447804 0.90 MME (0.64) MMEACEPPARGPPARA
SCHEMBL9007741 0.90 MME (0.64) MMEACEPPARGPPARA
SCHEMBL8027420 0.90 MME (0.77) MMEACEPPARGPPARA
SCHEMBL8027115 0.90 MME (0.77) MMEACEPSEN1PSEN2APH1B
SCHEMBL8028717 0.87 MME (0.67) MMEACEPPARGPPARA
SCHEMBL8448363 0.87 MME (0.67) MMEACEPPARGPPARA
SCHEMBL8017233 0.87 MME (0.68) MMEACEPSEN1PSEN2APH1B
SCHEMBL8027132 0.86 MME (0.68) MMEACEPSEN1PSEN2APH1B

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