SCHEMBL20144633

SCHEMBL20144633

C=C(C)C(=O)OCC(C)C(=O)OCCC

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
THRB P10828 1/20 0.46
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HSD17B10 Q99714 1/20 0.31
LMNA P02545 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
SCHEMBL27843082 0.85 TSHR (0.62) TSHRTHRBALDH1A1HSD17B10LMNA
SCHEMBL21119078 0.84 TSHR (0.56) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL31065018 0.84 TSHR (0.78) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9502238 0.84 TSHR (0.78) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL17760705 0.81 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL17760682 0.81 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL16573 0.80
SCHEMBL21772349 0.80 TSHR (0.69) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3873432 0.80 TSHR (0.60) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL15064565 0.80 TSHR (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102708-B1 CURABLE COMPOSITION, COLOR FILTER, AND MANUFACTURING METHOD OF THE SAME FUJIFILM CORP (JP) 2018-05-16 EP disclosed