SCHEMBL28071258

SCHEMBL28071258

C=CC(=O)OC(C)OC(=O)c1ccccc1C(=O)OCC(C)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.53
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 2/20 0.45
ADRB2 P07550 8/20 0.45
ADRB1 P08588 8/20 0.45
ADRB3 P13945 8/20 0.45
CA2 P00918 1/20 0.41
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL301790 0.89 TSHR (0.43) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL7550987 0.88 TSHR (0.58) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL17924927 0.86 TSHR (0.39) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL26919876 0.85 ALDH1A1 (0.45) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL16892650 0.83 TSHR (0.55) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL181429 0.83 TSHR (0.63) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL20481917 0.83 TSHR (0.45) TSHRALDH1A1CYP3A4CA2TDP1
SCHEMBL301791 0.83 ALDH1A1 (0.48) TSHRALDH1A1CYP3A4TDP1HSD17B10
SCHEMBL25438702 0.83 TSHR (0.51) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL35051 0.82 TSHR (0.54) TSHRALDH1A1CYP3A4ADRB2ADRB1

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-105492480-B Light-moisture-curable resin composition, adhesive for electronic component, and adhesive for display element SEKISUI CHEMICAL CO.,LTD. (JP) 2019-11-01 CN disclosed
CN-105916886-B Light wet-cured type resin combination, electronic component-use bonding agent and display element bonding agent 积水化学工业株式会社 2019-09-24 CN disclosed
CN-105579477-B Light wet-cured type resin combination, electronic component-use bonding agent and display element bonding agent 积水化学工业株式会社 2018-07-27 CN disclosed
CN-105916886-A Photo/moisture-curable resin composition, adhesive for electronic component, and adhesive for display element 积水化学工业株式会社 2016-08-31 CN disclosed
CN-105900004-A Sealant for one-drop fill process, vertically conducting material, and liquid crystal display element 积水化学工业株式会社 2016-08-24 CN disclosed
CN-105814094-A Light-moisture-curable resin composition, adhesive for electronic component, and adhesive for display element 积水化学工业株式会社 2016-07-27 CN disclosed