SCHEMBL28133608

SCHEMBL28133608

C=CC(=O)OCCOC(CC)OCCOC(=O)C=C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.55
ALDH1A1 P00352 5/20 0.55
TP53 P04637 3/20 0.55
HIF1A Q16665 3/20 0.55
HSD17B10 Q99714 1/20 0.55
HPGD P15428 1/20 0.55
THRB P10828 4/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.35
HCAR2 Q8TDS4 4/20 0.33

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
SCHEMBL10697751 0.84 TSHR (0.71) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3821048 0.83 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12848937 0.83 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14604828 0.83 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL823189 0.81 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
Propane SCHEMBL6904776 0.81 TSHR (0.73) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9578425 0.80 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1171239 0.80 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL32689960 0.80 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14893110 0.80 TSHR (0.50) 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
CN-106459300-A Compositions comprising cleavable crosslinker and methods 3M创新有限公司 2017-02-22 CN disclosed