SCHEMBL7542832

SCHEMBL7542832

COC(=O)[C@H](CSC[C@H](NC(=O)OCc1ccccc1)C(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.65
PPARG P37231 11/20 0.65
PPARD Q03181 2/20 0.60
SYK P43405 1/20 0.54
KYNU Q16719 1/20 0.51
ACE P12821 1/20 0.50
KLK5 Q9Y337 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL7542840 1.00 PPARA (0.65) PPARAPPARGPPARDSYKKYNU
SCHEMBL7541179 0.89 PPARA (0.54) PPARAPPARGPPARDSYKKYNU
SCHEMBL7541173 0.89 PPARA (0.54) PPARAPPARGPPARDSYKKYNU
SCHEMBL23961328 0.88 KYNU (0.62) PPARAPPARGKYNUALDH1A1ALOX15
SCHEMBL30417364 0.87 KYNU (0.60) PPARAPPARGKYNUALDH1A1ALOX15
SCHEMBL5350720 0.86 PPARA (0.68) PPARAPPARGPPARDSYKACE
SCHEMBL23927277 0.86 PPARA (0.73) PPARAPPARGALDH1A1ALOX15
SCHEMBL17446725 0.85 PPARA (0.55) PPARAPPARGPPARDSYKACE
SCHEMBL30799620 0.85 PPARA (0.63) PPARAPPARGPPARDSYKACE
SCHEMBL1429551 0.85 PPARA (0.63) PPARAPPARGPPARDSYKACE

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
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed