SCHEMBL8769030

SCHEMBL8769030

COc1ccc(NC(=O)N(CCCCCC(C)(C)C)CCc2ccc(OC(C)(C)CO)cc2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.56
PPARG P37231 8/20 0.56
PPARD Q03181 4/20 0.56
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL8768153 0.92 PPARA (0.58) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL8768880 0.84 SOAT1 (0.51) PPARAPPARGPPARDMAPTGAA
SCHEMBL8925777 0.82 PPARA (0.62) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL6941878 0.81 PPARA (0.72) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL8925577 0.79 PPARA (0.60) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL8926283 0.79 PPARA (0.68) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL8923414 0.77 PPARA (0.56) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL8768146 0.74 SOAT1 (0.48) PPARAPPARGPPARDMAPTTSHR
SCHEMBL9253022 0.74 PPARG (0.50) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL6359190 0.73 PPARA (0.61) PPARAPPARGPPARDMEN1KMT2A

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 2 patents. 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
US-5658944-A ANTICHOLESTEROL AGENTS THE UNIVERSITY OF SOUTH CAROLINA (US) 1997-08-19 US disclosed