SCHEMBL8030182

SCHEMBL8030182

CC(C)CN(CC(O)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.69
ACE P12821 9/20 0.69
PSEN1 P49768 7/20 0.52
PSEN2 P49810 7/20 0.52
APH1B Q8WW43 7/20 0.52
NCSTN Q92542 7/20 0.52
APH1A Q96BI3 7/20 0.52
PSENEN Q9NZ42 7/20 0.52

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
SCHEMBL8017187 0.95 MME (0.78) MMEACEPSEN1PSEN2APH1B
SCHEMBL8017233 0.93 MME (0.68) MMEACEPSEN1PSEN2APH1B
SCHEMBL27464915 0.91 MME (0.57) MMEACEPSEN1PSEN2APH1B
SCHEMBL27464914 0.91 MME (0.57) MMEACEPSEN1PSEN2APH1B
SCHEMBL8027560 0.89 MME (0.80) MMEACEPSEN1PSEN2APH1B
SCHEMBL27444756 0.89 MME (0.57) MMEACEPSEN1PSEN2APH1B
SCHEMBL27444759 0.89 MME (0.57) MMEACEPSEN1PSEN2APH1B
SCHEMBL8028686 0.88 MME (0.69) MMEACEPSEN1PSEN2APH1B
SCHEMBL8027115 0.88 MME (0.77) MMEACEPSEN1PSEN2APH1B
SCHEMBL8032885 0.87 MME (0.88) MMEACE

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