SCHEMBL9450859

SCHEMBL9450859

C=C(CCOC(=O)C(=C)CCC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.36
FFAR3 O14843 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
TET2 Q6N021 1/20 0.31
DGKA P23743 1/20 0.31

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
SCHEMBL16208006 0.89 TSHR (0.44) TSHRTHRBALDH1A1CES2CES1
SCHEMBL8771858 0.86 THRB (0.37) TSHRTHRBALDH1A1TET2
SCHEMBL11701319 0.86 FFAR3 (0.46) TSHRTHRBFFAR3HDAC3HDAC1
SCHEMBL11027815 0.86 TSHR (0.50) TSHRTHRBALDH1A1DGKA
SCHEMBL3423721 0.86 THRB (0.47) TSHRTHRBFFAR3HDAC3HDAC1
SCHEMBL3476011 0.84 TSHR (0.44) TSHRTHRBFFAR3HDAC3HDAC1
SCHEMBL7758811 0.82
SCHEMBL5851844 0.81 TSHR (0.53) TSHRTHRBFFAR3HDAC3HDAC1
SCHEMBL17818 0.81
SCHEMBL8736372 0.80 CHRM2 (0.36) TSHRTHRBALDH1A1

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-0537338-A1 THERMALLY STABLE COMPOSITIONS AND LUBRICANTS AND FUNCTIONAL FLUIDS CONTAINING THE SAME. LUBRIZOL CORP (US) 1993-04-21 EP disclosed