SCHEMBL8568098

SCHEMBL8568098

C=C(C)C[C@H](C[C@H](O)[C@H](CC(C)(C)CCOCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.46
KLK5 Q9Y337 4/20 0.43
PPARG P37231 1/20 0.43
PSEN1 P49768 3/20 0.42
PSEN2 P49810 3/20 0.42
APH1B Q8WW43 3/20 0.42
NCSTN Q92542 3/20 0.42
APH1A Q96BI3 3/20 0.42
PSENEN Q9NZ42 3/20 0.42
APP P05067 1/20 0.42
CTSS P25774 1/20 0.40
REN P00797 6/20 0.40
KLK7 P49862 2/20 0.39
ACE P12821 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL8562719 0.89 PPARA (0.49) PPARAKLK5PPARGPSEN1PSEN2
SCHEMBL8562726 0.89 PPARA (0.49) PPARAKLK5PPARGPSEN1PSEN2
SCHEMBL8570491 0.89 PPARA (0.49) PPARAKLK5PPARGPSEN1PSEN2
SCHEMBL8570488 0.89 PPARA (0.49) PPARAKLK5PPARGPSEN1PSEN2
SCHEMBL8564212 0.81 PPARA (0.45) PPARAKLK5PPARGPSEN1PSEN2
SCHEMBL8564217 0.81 PPARA (0.45) PPARAKLK5PPARGPSEN1PSEN2
SCHEMBL8564364 0.77 PPARA (0.46) PPARAKLK5PPARGPSEN1PSEN2
SCHEMBL8564368 0.77 PPARA (0.46) PPARAKLK5PPARGPSEN1PSEN2
SCHEMBL1586917 0.74 PPARA (0.55) PPARAKLK5PPARGAPPCTSS
SCHEMBL8564724 0.74 PPARA (0.55) PPARAKLK5PPARGAPPCTSS

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