SCHEMBL8768879

SCHEMBL8768879

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.49
PPARG P37231 5/20 0.49
HDAC6 Q9UBN7 6/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC3 O15379 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
PPARD Q03181 2/20 0.48
SOAT1 P35610 1/20 0.48
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR5 Q9H1C0 2/20 0.40
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
HDAC4 P56524 1/20 0.38

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
SCHEMBL8768932 0.91 HDAC6 (0.50) PPARAPPARGHDAC6HDAC1HDAC3
SCHEMBL8767877 0.91 HDAC6 (0.59) PPARAPPARGHDAC6HDAC1HDAC3
SCHEMBL8767691 0.91 PPARA (0.50) PPARAPPARGHDAC6HDAC1HDAC3
SCHEMBL8768853 0.90 HDAC6 (0.49) PPARAPPARGHDAC6HDAC1HDAC3
SCHEMBL8769015 0.89 PPARA (0.49) PPARAPPARGHDAC6HDAC1HDAC3
SCHEMBL8767840 0.86 PPARA (0.47) PPARAPPARGHDAC6HDAC1HDAC3
SCHEMBL8768867 0.85 PPARA (0.48) PPARAPPARGHDAC6HDAC1HDAC3
SCHEMBL8768126 0.85 PPARA (0.46) PPARAPPARGHDAC6HDAC1HDAC3
SCHEMBL8768601 0.84 PPARG (0.70) PPARAPPARGPPARDSOAT1
SCHEMBL8768980 0.84 PPARA (0.50) PPARAPPARGHDAC6HDAC1HDAC3

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