SCHEMBL8767697

SCHEMBL8767697

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.46
PPARA Q07869 5/20 0.46
HDAC1 Q13547 6/20 0.45
HDAC6 Q9UBN7 6/20 0.45
HDAC3 O15379 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC8 Q9BY41 2/20 0.45
PPARD Q03181 3/20 0.45
SOAT1 P35610 1/20 0.41
BRD4 O60885 1/20 0.39
EGFR P00533 2/20 0.39
BCHE P06276 2/20 0.38
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL8925673 0.91 HDAC1 (0.44) PPARGPPARAHDAC1HDAC6HDAC3
SCHEMBL8768874 0.84 PPARG (0.46) PPARGPPARAHDAC1HDAC6HDAC3
SCHEMBL8768938 0.80 PPARA (0.54) PPARGPPARAHDAC1HDAC6HDAC3
SCHEMBL8768759 0.79 PPARA (0.53) PPARGPPARAHDAC1HDAC6HDAC3
SCHEMBL8925558 0.75 PPARA (0.40) PPARGPPARAHDAC1HDAC6HDAC3
SCHEMBL8767768 0.74 PPARA (0.56) PPARGPPARAPPARDSOAT1
SCHEMBL8767912 0.74 SOAT1 (0.48) PPARGPPARAHDAC1HDAC6HDAC3
SCHEMBL8925426 0.72 PPARA (0.45) PPARGPPARAHDAC1HDAC6HDAC3
SCHEMBL8768899 0.71 PPARA (0.57) PPARGPPARAHDAC1HDAC6HDAC3
SCHEMBL8924425 0.71 PPARA (0.44) PPARGPPARAHDAC1HDAC6HDAC3

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
EP-0639178-B1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS WELLCOME FOUND (GB) 1997-09-03 EP disclosed