SCHEMBL8564212

SCHEMBL8564212

C=CC(CC(O)C(CC(C)(C)CCOCc1ccccc1)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.45
KLK5 Q9Y337 2/20 0.44
PSEN1 P49768 5/20 0.42
PSEN2 P49810 5/20 0.42
APH1B Q8WW43 5/20 0.42
NCSTN Q92542 5/20 0.42
APH1A Q96BI3 5/20 0.42
PSENEN Q9NZ42 5/20 0.42
PPARG P37231 1/20 0.41
CTSS P25774 1/20 0.41
REN P00797 3/20 0.41
APP P05067 1/20 0.40
BACE1 P56817 4/20 0.38

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
SCHEMBL8564217 1.00 PPARA (0.45) PPARAKLK5PSEN1PSEN2APH1B
SCHEMBL8570488 0.83 PPARA (0.49) PPARAKLK5PSEN1PSEN2APH1B
SCHEMBL8562726 0.83 PPARA (0.49) PPARAKLK5PSEN1PSEN2APH1B
SCHEMBL8562719 0.83 PPARA (0.49) PPARAKLK5PSEN1PSEN2APH1B
SCHEMBL8570491 0.83 PPARA (0.49) PPARAKLK5PSEN1PSEN2APH1B
SCHEMBL8568098 0.81 PPARA (0.46) PPARAKLK5PSEN1PSEN2APH1B
SCHEMBL8565474 0.79 CA1 (0.38) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8565477 0.79 CA1 (0.38) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8564364 0.78 PPARA (0.46) PPARAKLK5PSEN1PSEN2APH1B
SCHEMBL8564368 0.78 PPARA (0.46) PPARAKLK5PSEN1PSEN2APH1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed