SCHEMBL8767730

SCHEMBL8767730

CCCCCCCN(Cc1ccc(OCCCC(C)(C)C(=O)O)cc1)C(=O)Nc1c(OC)cccc1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
LPAR1 Q92633 4/20 0.44
LPAR5 Q9H1C0 2/20 0.44
PPARG P37231 3/20 0.43
PPARD Q03181 1/20 0.43
SOAT1 P35610 2/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACAT1 P24752 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
SCHEMBL8768602 0.92 PPARA (0.53) PPARAPPARGPPARDSOAT1KDM4E
SCHEMBL8925626 0.86 TSHR (0.49) PPARAHDAC1HDAC6HDAC3HDAC2
SCHEMBL9256781 0.83 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL8768990 0.80 PPARA (0.50) PPARAHDAC1HDAC6HDAC3HDAC2
SCHEMBL8923414 0.79 PPARA (0.56) PPARAPPARGPPARDSOAT1KDM4E
SCHEMBL8767593 0.78 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL8768888 0.78 LPAR1 (0.50) PPARAHDAC1HDAC6HDAC3HDAC2
SCHEMBL8768112 0.78 PPARA (0.56) PPARAHDAC1HDAC6HDAC3HDAC2
SCHEMBL9577853 0.76 TSHR (0.56) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL8856197 0.75 SOAT1 (0.60) HDAC1HDAC6HDAC3HDAC2HDAC8

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