SCHEMBL8925673

SCHEMBL8925673

CCCCCCCN(Cc1ccccc1OC(C)(C)C(=O)OCC)C(=O)Nc1ccccc1OCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
SOAT1 P35610 1/20 0.40
PPARA Q07869 5/20 0.39
PPARG P37231 4/20 0.39
PPARD Q03181 1/20 0.36
ACHE P22303 1/20 0.36
BRD4 O60885 1/20 0.36
EGFR P00533 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
FBP1 P09467 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL8767697 0.91 PPARG (0.46) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL8925558 0.85 PPARA (0.40) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL8767912 0.83 SOAT1 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL8768932 0.81 HDAC6 (0.50) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL8925426 0.81 PPARA (0.45) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL8924425 0.80 PPARA (0.44) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL8768853 0.80 HDAC6 (0.49) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL8767877 0.78 HDAC6 (0.59) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL8767691 0.77 PPARA (0.50) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL8768643 0.77 ALDH1A1 (0.46) SOAT1PPARAPPARGEGFRKDM4E

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 1 patent. 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