SCHEMBL8767733

SCHEMBL8767733

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.48
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
SOAT1 P35610 1/20 0.43
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39

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
SCHEMBL8767739 0.91 HDAC1 (0.48) LMNAGAAHTTTSHRHDAC1
SCHEMBL8767743 0.89 HDAC1 (0.49) LMNAGAAHTTTSHRHDAC1
SCHEMBL8767804 0.85 HDAC1 (0.49) LMNAGAAHTTTSHRHDAC1
SCHEMBL9577853 0.83 TSHR (0.56) LMNAGAAHTTTSHRHDAC1
SCHEMBL8768948 0.83 HDAC1 (0.49) LMNAGAAHTTTSHRHDAC1
SCHEMBL8768644 0.83 HDAC1 (0.49) LMNAGAAHTTTSHRHDAC1
SCHEMBL9255344 0.82 HDAC1 (0.48) LMNAGAAHTTTSHRHDAC1
SCHEMBL8767684 0.82 HDAC1 (0.49) LMNAGAAHTTTSHRHDAC1
SCHEMBL8768980 0.81 PPARA (0.50) LMNAGAAHTTTSHRHDAC1
SCHEMBL9253807 0.81 TSHR (0.54) LMNAGAAHTTTSHRHDAC1

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