SCHEMBL28025601

SCHEMBL28025601

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 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
CYP3A4 P08684 2/20 0.50
HPGD P15428 1/20 0.50
THRB P10828 3/20 0.46
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCAR2 Q8TDS4 3/20 0.33
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL28217771 0.93 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
Acetic Acid SCHEMBL3361156 0.83 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
Methacrylic Acid SCHEMBL1664193 0.82 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL27722644 0.80 HCAR2 (0.53) TSHRALDH1A1HPGDHCAR2ATM
SCHEMBL1087614 0.80 HCAR2 (0.53) TSHRALDH1A1HPGDHCAR2ATM
SCHEMBL11206201 0.80 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylic Acid SCHEMBL11242922 0.79 TSHR (0.64) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3793027 0.79 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6266348 0.79 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28928035 0.79 TSHR (0.58) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111050731-A Non-solvent adhesive composition for dental use 可乐丽则武齿科株式会社 2020-04-21 CN disclosed
CN-110891920-A Method for manufacturing powder comprising zirconium oxide particles and fluorescent agent 可乐丽则武齿科株式会社 2020-03-17 CN disclosed
CN-110891921-A Zirconia sintered body containing fluorescent agent 可乐丽则武齿科株式会社 2020-03-17 CN disclosed
CN-110891903-A Method for producing powder containing zirconia particles 可乐丽则武齿科株式会社 2020-03-17 CN disclosed
CN-110785159-A Dual paste type dental curable composition 可乐丽则武齿科株式会社 2020-02-11 CN disclosed
CN-103118626-B Dental mill blank KURARAY NORITAKE DENTAL INC. (JP) 2015-08-05 CN disclosed