SCHEMBL28069655

SCHEMBL28069655

C=CC(=O)OC(NCC)OCC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.36
HPGD P15428 1/20 0.35
THRB P10828 2/20 0.33
ALDH1A1 P00352 4/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL1399511 0.76 TSHR (0.44) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL515777 0.74 TSHR (0.38) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL27494684 0.73 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL147629 0.73 TSHR (0.45) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL28118746 0.73 TSHR (0.37) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL9637302 0.73 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
Chloromethane SCHEMBL4057299 0.73 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL5485731 0.72 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL237171 0.72 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL10581691 0.71

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
CN-105589297-A COLORED CURABLE RESIN COMPOSITION SUMITOMO CHEMICAL CO 2016-05-18 CN disclosed