SCHEMBL8925426

SCHEMBL8925426

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Nc1ccc(OC)cc1OCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.45
PPARG P37231 5/20 0.45
SOAT1 P35610 1/20 0.43
TSHR P16473 1/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
PPARD Q03181 2/20 0.40
LMNA P02545 1/20 0.38
PLK1 P53350 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
NR1I2 O75469 2/20 0.36

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
SCHEMBL8924425 0.92 PPARA (0.44) PPARAPPARGSOAT1TSHRHDAC1
SCHEMBL8768938 0.92 PPARA (0.54) PPARAPPARGSOAT1TSHRHDAC1
SCHEMBL8768980 0.90 PPARA (0.50) PPARAPPARGSOAT1TSHRHDAC1
SCHEMBL8925832 0.85 PPARA (0.43) PPARAPPARGSOAT1TSHRHDAC1
SCHEMBL8925468 0.84 PPARA (0.47) PPARAPPARGSOAT1TSHRHDAC1
SCHEMBL8768759 0.83 PPARA (0.53) PPARAPPARGSOAT1HDAC1HDAC6
SCHEMBL8768099 0.83 TSHR (0.52) PPARAPPARGTSHRHDAC1HDAC6
SCHEMBL8768838 0.83 PPARA (0.48) PPARAPPARGSOAT1TSHRHDAC1
SCHEMBL8925577 0.83 PPARA (0.60) PPARAPPARGTSHRGAAHTT
SCHEMBL8767877 0.82 HDAC6 (0.59) PPARAPPARGSOAT1TSHRHDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658944-A ANTICHOLESTEROL AGENTS THE UNIVERSITY OF SOUTH CAROLINA (US) 1997-08-19 US disclosed
EP-0639178-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS. WELLCOME FOUND (GB) 1995-02-22 EP disclosed
WO-1992010468-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-06-25 WO disclosed