SCHEMBL21473546

SCHEMBL21473546

C=CCOCC(C)OCC(C)OC(=O)C(=O)OC(C)COC(C)COC(=O)C=C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.51
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
HPGD P15428 1/20 0.33
CA7 P43166 1/20 0.33
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.31
CA9 Q16790 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
SCHEMBL16805857 0.89 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL29092420 0.85 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17067663 0.84 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17851171 0.83 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL93458 0.83 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17851179 0.83 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17851168 0.83 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17851169 0.83 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17851165 0.83 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17851180 0.83 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10

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-2915856-B1 Etch-resistant inkjet inks for manufacturing conductive patterns AGFA GEVAERT (BE) 2019-10-16 EP disclosed