SCHEMBL8768931

SCHEMBL8768931

COc1ccc(NC(=O)N(Cc2ccc(OC(C)(C)C(=O)O)cc2)C(C)(C)C)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.52
ALDH1A1 P00352 1/20 0.48
PPARG P37231 3/20 0.48
PPARD Q03181 2/20 0.48
GAA P10253 2/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL8924202 0.88 TSHR (0.47) PPARAALDH1A1PPARGPPARDGAA
SCHEMBL8924339 0.85 GAA (0.52) PPARAALDH1A1PPARGPPARDGAA
SCHEMBL8767827 0.84 GAA (0.52) PPARAALDH1A1PPARGPPARDGAA
SCHEMBL8767679 0.82 PPARA (0.59) PPARAPPARGPPARDGAAHTT
SCHEMBL8767784 0.82 PPARA (0.61) PPARAPPARGPPARDGAAHTT
SCHEMBL8767727 0.82 PPARA (0.61) PPARAPPARGPPARDGAAHTT
SCHEMBL8768686 0.82 PPARA (0.61) PPARAPPARGPPARDGAAHTT
SCHEMBL8767780 0.81 PPARA (0.62) PPARAPPARGPPARDGAAHTT
SCHEMBL8768167 0.81 PPARA (0.57) PPARAALDH1A1PPARGPPARDGAA
SCHEMBL8925777 0.79 PPARA (0.62) PPARAALDH1A1PPARGPPARDGAA

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-0639178-B1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS WELLCOME FOUND (GB) 1997-09-03 EP disclosed