SCHEMBL9577693

SCHEMBL9577693

CCCCCCCN(Cc1ccc(C(=O)O)c(CCOC)c1)C(=O)Nc1ccc(OC)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
PLK3 Q9H4B4 1/20 0.50
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PPARG P37231 4/20 0.45
PPARA Q07869 4/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
PPARD Q03181 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
SOAT1 P35610 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41

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
SCHEMBL9577665 0.84 SOAT1 (0.61) PPARGPPARAPPARDSOAT1
SCHEMBL9251911 0.83 HDAC1 (0.53) PLK1PLK3HDAC3HDAC1HDAC2
SCHEMBL9577692 0.83 PLK1 (0.46) PLK1PLK3HDAC3HDAC1HDAC2
SCHEMBL9577853 0.83 TSHR (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9253807 0.82 TSHR (0.54) PLK1PLK3HDAC3HDAC1HDAC2
SCHEMBL9261604 0.81 HDAC1 (0.51) PLK1PLK3HDAC3HDAC1HDAC2
SCHEMBL9252619 0.81 HDAC1 (0.51) PLK1PLK3HDAC3HDAC1HDAC2
SCHEMBL9577605 0.80 TSHR (0.51) PLK1PLK3HDAC3HDAC1HDAC2
SCHEMBL9255344 0.79 HDAC1 (0.48) PLK1PLK3HDAC3HDAC1HDAC2
SCHEMBL8767727 0.78 PPARA (0.61) HDAC3HDAC1HDAC2HDAC8HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550568-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006075-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-16 WO disclosed