SCHEMBL8570491

SCHEMBL8570491

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.49
PPARG P37231 2/20 0.46
KLK5 Q9Y337 3/20 0.43
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43
APP P05067 1/20 0.43
CTSS P25774 1/20 0.43
SYK P43405 1/20 0.42
REN P00797 3/20 0.41
ACE P12821 1/20 0.40
KLK7 P49862 1/20 0.39
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 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
SCHEMBL8570488 1.00 PPARA (0.49) PPARAPPARGKLK5PSEN1PSEN2
SCHEMBL8562726 0.93 PPARA (0.49) PPARAPPARGKLK5PSEN1PSEN2
SCHEMBL8562719 0.93 PPARA (0.49) PPARAPPARGKLK5PSEN1PSEN2
SCHEMBL8568098 0.89 PPARA (0.46) PPARAPPARGKLK5PSEN1PSEN2
SCHEMBL8564217 0.83 PPARA (0.45) PPARAPPARGKLK5PSEN1PSEN2
SCHEMBL8564212 0.83 PPARA (0.45) PPARAPPARGKLK5PSEN1PSEN2
SCHEMBL8564368 0.81 PPARA (0.46) PPARAPPARGKLK5PSEN1PSEN2
SCHEMBL8564364 0.81 PPARA (0.46) PPARAPPARGKLK5PSEN1PSEN2
SCHEMBL1586917 0.77 PPARA (0.55) PPARAPPARGKLK5APPCTSS
SCHEMBL8564724 0.77 PPARA (0.55) PPARAPPARGKLK5APPCTSS

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