SCHEMBL8768644

SCHEMBL8768644

CCCCCCCN(Cc1ccc(OC(CC)C(=O)O)cc1)C(=O)Nc1ccc(OC)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
SOAT1 P35610 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
MAPT P10636 2/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
PPARD Q03181 1/20 0.43
PLK1 P53350 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 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
SCHEMBL8767804 0.90 HDAC1 (0.49) HDAC1HDAC6GAAHTTTSHR
SCHEMBL8768948 0.88 HDAC1 (0.49) HDAC1HDAC6GAAHTTTSHR
SCHEMBL8767739 0.87 HDAC1 (0.48) HDAC1HDAC6GAAHTTTSHR
SCHEMBL8767743 0.86 HDAC1 (0.49) HDAC1HDAC6GAAHTTTSHR
SCHEMBL6359258 0.86 PPARA (0.48) GAAHTTTSHRTAS1R3TAS1R1
SCHEMBL9577853 0.86 TSHR (0.56) HDAC1HDAC6GAAHTTTSHR
SCHEMBL9255344 0.85 HDAC1 (0.48) HDAC1HDAC6GAAHTTTSHR
SCHEMBL8767791 0.85 TSHR (0.50) HDAC1HDAC6GAAHTTTSHR
SCHEMBL8767687 0.84 TSHR (0.51) HDAC1HDAC6GAAHTTTSHR
SCHEMBL9253807 0.83 TSHR (0.54) HDAC1HDAC6GAAHTTTSHR

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-0639178-B1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS WELLCOME FOUND (GB) 1997-09-03 EP disclosed
US-5658944-A ANTICHOLESTEROL AGENTS THE UNIVERSITY OF SOUTH CAROLINA (US) 1997-08-19 US disclosed