SCHEMBL21836049

SCHEMBL21836049

C=C/C(O)=C\C(=O)CCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HDAC3 O15379 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
FFAR3 O14843 3/20 0.40
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
AKR1B1 P15121 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
IAPP P10997 1/20 0.31
HTR1A P08908 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.30
SLC22A8 Q8TCC7 1/20 0.30

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
SCHEMBL195813 0.78
SCHEMBL29145005 0.77 ALDH1A1 (0.42) TSHRALDH1A1HDAC3HDAC1HDAC2
Ammonia Solution, Strong SCHEMBL8386984 0.75
SCHEMBL27577841 0.75
Phosphoric Acid SCHEMBL21333992 0.74 TSHR (0.50) TSHRALDH1A1HDAC3HDAC1HDAC2
SCHEMBL21643869 0.73 HDAC3 (0.46) TSHRALDH1A1HDAC3HDAC1HDAC2
SCHEMBL28063791 0.73
SCHEMBL11984987 0.73 HDAC3 (0.46) TSHRALDH1A1HDAC3HDAC1HDAC2
Propene SCHEMBL27908251 0.73 TSHR (0.55) TSHRALDH1A1HDAC3HDAC1HDAC2
Dimethylamine SCHEMBL9031260 0.71 TSHR (0.52) TSHRALDH1A1HDAC3HDAC1HDAC2

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-3633454-A1 METHOD FOR PRODUCING A FLEXOGRAPHIC PRINTING MOULD FROM A DIGITALLY IMAGEABLE PHOTOPOLYMERIZABLE FLEXOGRAPHIC ELEMENT WITH INTEGRAL BARRIER LAYER Flint Group Germany GmbH (DE) 2020-04-08 EP disclosed