SCHEMBL8767753

SCHEMBL8767753

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)O)cc1)C(=O)Nc1c(F)cccc1F

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.62
PPARG P37231 11/20 0.62
PPARD Q03181 4/20 0.62
SOAT1 P35610 1/20 0.51
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL8768641 0.90 PPARA (0.51) PPARAPPARGPPARDSOAT1LPAR1
SCHEMBL8925066 0.84 PPARA (0.85) PPARAPPARGPPARDSOAT1
SCHEMBL8768666 0.84 PPARA (0.57) PPARAPPARGPPARDSOAT1
SCHEMBL8768112 0.83 PPARA (0.56) PPARAPPARGPPARDSOAT1LPAR1
SCHEMBL8923385 0.82 PPARA (0.70) PPARAPPARGPPARDSOAT1HDAC6
SCHEMBL9252062 0.82 SOAT1 (0.48) PPARAPPARGPPARDSOAT1LPAR1
SCHEMBL8768663 0.82 PPARA (0.69) PPARAPPARGPPARDSOAT1HDAC6
SCHEMBL8768899 0.81 PPARA (0.57) PPARAPPARGPPARDSOAT1HDAC6
SCHEMBL8768964 0.81 PPARA (0.46) PPARAPPARGPPARDSOAT1LPAR1
SCHEMBL8767768 0.80 PPARA (0.56) PPARAPPARGPPARDSOAT1

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