SCHEMBL8564364

SCHEMBL8564364

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.46
KLK5 Q9Y337 3/20 0.44
PPARG P37231 1/20 0.42
CTSS P25774 2/20 0.41
SYK P43405 1/20 0.41
REN P00797 3/20 0.40
CTSD P07339 1/20 0.40
KLK7 P49862 1/20 0.40
TSHR P16473 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
CTSK P43235 1/20 0.39
ACE P12821 1/20 0.39
PTPN1 P18031 2/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 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
SCHEMBL8564368 1.00 PPARA (0.46) PPARAKLK5PPARGCTSSSYK
SCHEMBL7435516 0.82 KLK5 (0.60) KLK5CTSSRENCTSDTSHR
SCHEMBL7638374 0.82 KLK5 (0.60) KLK5CTSSRENCTSDTSHR
SCHEMBL8570488 0.81 PPARA (0.49) PPARAKLK5PPARGCTSSSYK
SCHEMBL8570491 0.81 PPARA (0.49) PPARAKLK5PPARGCTSSSYK
SCHEMBL8562719 0.80 PPARA (0.49) PPARAKLK5PPARGCTSSREN
SCHEMBL8562726 0.80 PPARA (0.49) PPARAKLK5PPARGCTSSREN
SCHEMBL7638338 0.79 PTPN1 (0.52) KLK5RENCTSDTSHRPSEN1
SCHEMBL7638333 0.79 PTPN1 (0.52) KLK5RENCTSDTSHRPSEN1
SCHEMBL8564212 0.78 PPARA (0.45) PPARAKLK5PPARGCTSSREN

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