SCHEMBL8925558

SCHEMBL8925558

CCCCCCCN(Cc1ccccc1OC(C)(C)C(=O)OCC)C(=O)Nc1cc(C(C)(C)C)ccc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.40
PPARG P37231 4/20 0.40
SOAT1 P35610 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EGFR P00533 2/20 0.37
FBP1 P09467 1/20 0.36
ACHE P22303 2/20 0.35
PPARD Q03181 1/20 0.34
NR1I2 O75469 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8768874 0.91 PPARG (0.46) PPARAPPARGSOAT1HDAC3HDAC1
SCHEMBL8925673 0.85 HDAC1 (0.44) PPARAPPARGSOAT1HDAC3HDAC1
SCHEMBL8767912 0.84 SOAT1 (0.48) PPARAPPARGSOAT1HDAC3HDAC1
SCHEMBL8768643 0.82 ALDH1A1 (0.46) PPARAPPARGSOAT1EGFRFBP1
SCHEMBL8768928 0.77 SOAT1 (0.44) PPARAPPARGSOAT1HDAC3HDAC1
SCHEMBL8767697 0.75 PPARG (0.46) PPARAPPARGSOAT1HDAC3HDAC1
SCHEMBL9259009 0.74 SOAT1 (0.48) PPARAPPARGSOAT1HDAC3HDAC1
SCHEMBL8768932 0.73 HDAC6 (0.50) PPARAPPARGSOAT1HDAC3HDAC1
SCHEMBL8767877 0.73 HDAC6 (0.59) PPARAPPARGSOAT1HDAC3HDAC1
SCHEMBL8767691 0.72 PPARA (0.50) PPARAPPARGSOAT1HDAC3HDAC1

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