SCHEMBL4644865

SCHEMBL4644865

C=C(C)C(=O)OCCCOCC1(CC)COC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.36
POLB P06746 3/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTSK P43235 3/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL26703794 0.97 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4644189 0.92 THRB (0.54) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL14505099 0.90 THRB (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL12200956 0.87 HTT (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10100417 0.86 THRB (0.51) TSHRTHRBALDH1A1
SCHEMBL19856425 0.84 THRB (0.40) TSHRTHRBALDH1A1POLBCTSK
SCHEMBL156498 0.84 ALDH1A1 (0.42) TSHRTHRBALDH1A1POLBCTSK
SCHEMBL27932384 0.83 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL13882270 0.81 ALDH1A1 (0.42) TSHRALDH1A1CTSKMEN1KMT2A
SCHEMBL244964 0.81 THRB (0.46) TSHRTHRBALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591098-B1 Cationically curable composition for dental use TOKUYAMA CORP (JP) 2008-08-13 EP disclosed
US-7365106-B2 Cationically curable composition for dental use TOKUYAMA CORPORATION (JP) 2008-04-29 US disclosed
US-20050250868-A1 Cationically curable composition for dental use TOKUYAMA CORPORATION (JP) 2005-11-10 US disclosed
EP-1591098-A1 Cationically curable composition for dental use TOKUYAMA CORPORATION (JP) 2005-11-02 EP disclosed