SCHEMBL8592181

SCHEMBL8592181

CC(C)(C)OC(=O)NC(CCCOS(C)(=O)=O)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.49
PPARA Q07869 2/20 0.49
SYK P43405 1/20 0.49
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
CTSS P25774 3/20 0.47
MAPT P10636 1/20 0.46
PPARG P37231 1/20 0.45

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
SCHEMBL8592186 1.00 CTSK (0.49) CTSKPPARASYKKLK7KLK5
SCHEMBL2856553 0.94 PPARA (0.51) CTSKPPARASYKKLK7KLK5
SCHEMBL6775947 0.94 PPARA (0.51) CTSKPPARASYKKLK7KLK5
SCHEMBL9301974 0.92 SYK (0.52) CTSKPPARASYKKLK7KLK5
SCHEMBL30649028 0.88 SYK (0.51) CTSKSYKKLK7KLK5CTSS
SCHEMBL28435271 0.85 PPARA (0.52) CTSKPPARASYKKLK7CTSS
SCHEMBL28435270 0.85 PPARA (0.52) CTSKPPARASYKKLK7CTSS
SCHEMBL2869084 0.84 PPARA (0.55) CTSKPPARASYKKLK7KLK5
SCHEMBL3906191 0.84 PPARA (0.55) CTSKPPARASYKKLK7KLK5
SCHEMBL2869086 0.84 PPARA (0.55) CTSKPPARASYKKLK7KLK5

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
WO-1998050421-A1 ANALGESIC PEPTIDOMIMETIC COMPOUNDS ASTRA AKTIEBOLAG (PUBL) (SE) 1998-11-12 WO disclosed