SCHEMBL28324316

SCHEMBL28324316

CCOCCOC(=O)C(C1CCCC1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 3/20 0.47
THRB P10828 2/20 0.42
EPHX1 P07099 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
Methacrylic Acid SCHEMBL28815698 0.89 THRB (0.49) TSHRALDH1A1THRBEPHX1NPSR1
Acrylic Acid Methyl Ester SCHEMBL27995141 0.86 ALDH1A1 (0.40) TSHRALDH1A1THRBNPSR1ATM
SCHEMBL27279008 0.80 TSHR (0.46) TSHRALDH1A1THRBNPSR1CYP3A4
SCHEMBL28839132 0.79 TSHR (0.41) TSHRALDH1A1THRBNPSR1CYP3A4
Dipenine SCHEMBL29385249 0.76 CHRM1 (0.44) TSHRALDH1A1THRBEPHX1NPSR1
Dipenine SCHEMBL25069 0.75 CHRM1 (0.43) TSHRALDH1A1THRBEPHX1NPSR1
SCHEMBL7537185 0.73 EPHX1 (0.44) TSHRALDH1A1EPHX1CYP3A4CHRM2
SCHEMBL9945509 0.73 ALDH1A1 (0.48) TSHRALDH1A1THRBCYP3A4KDM4E
SCHEMBL482106 0.73 ALDH1A1 (0.53) TSHRALDH1A1THRBKMT2A
SCHEMBL28324317 0.73 ALDH1A1 (0.70) TSHRALDH1A1THRBCHRM2HTR1A

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-106414635-B The method for temporary fixing of adhesive composite and the component using adhesive composite 电化株式会社 2019-09-17 CN claimed