SCHEMBL8768853

SCHEMBL8768853

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Nc1ccccc1OCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.49
HDAC1 Q13547 6/20 0.49
HDAC3 O15379 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
PPARA Q07869 6/20 0.47
PPARG P37231 4/20 0.47
PPARD Q03181 1/20 0.46
SOAT1 P35610 1/20 0.46
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
EBP Q15125 1/20 0.39

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 0.95 HDAC6 (0.50) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8767877 0.91 HDAC6 (0.59) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8767691 0.91 PPARA (0.50) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8768879 0.90 PPARA (0.49) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8769015 0.89 PPARA (0.49) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8767840 0.86 PPARA (0.47) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8768867 0.85 PPARA (0.48) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8768126 0.85 PPARA (0.46) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8768980 0.84 PPARA (0.50) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8768990 0.83 PPARA (0.50) HDAC6HDAC1HDAC3HDAC2HDAC8

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