SCHEMBL8923385

SCHEMBL8923385

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)O)cc1)C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.70
PPARG P37231 6/20 0.70
PPARD Q03181 2/20 0.70
HDAC6 Q9UBN7 5/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC3 O15379 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
SOAT1 P35610 1/20 0.46

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
SCHEMBL8768663 0.91 PPARA (0.69) PPARAPPARGPPARDHDAC6HDAC1
SCHEMBL8768761 0.89 PPARA (0.57) PPARAPPARGPPARDHDAC6HDAC1
SCHEMBL8768112 0.87 PPARA (0.56) PPARAPPARGPPARDHDAC6HDAC1
SCHEMBL8767784 0.86 PPARA (0.61) PPARAPPARGPPARDHDAC6HDAC1
SCHEMBL8768686 0.86 PPARA (0.61) PPARAPPARGPPARDHDAC6HDAC1
SCHEMBL8767727 0.86 PPARA (0.61) PPARAPPARGPPARDHDAC6HDAC1
SCHEMBL8767679 0.85 PPARA (0.59) PPARAPPARGPPARDHDAC6HDAC1
SCHEMBL8767753 0.82 PPARA (0.62) PPARAPPARGPPARDHDAC6HDAC1
SCHEMBL3967402 0.82 PPARA (1.00) PPARAPPARGPPARDSOAT1
SCHEMBL10891080 0.82 HDAC6 (0.63) HDAC6HDAC1HDAC3HDAC2HDAC4

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