SCHEMBL28046131

SCHEMBL28046131

C=C(OC(=C)C(CCC)OC(C)=O)C(CCC)OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CHRM1 P11229 2/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
TBXA2R P21731 1/20 0.31
CYP3A4 P08684 2/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 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
SCHEMBL17323727 0.79 TSHR (0.40) TSHRTDP1HSD17B10CHRM1AKR1A1
SCHEMBL7192903 0.78 CHRM1 (0.35) TSHRTDP1HSD17B10CHRM1AKR1A1
SCHEMBL4166708 0.77 ALDH1A1 (0.40) TSHRTDP1CHRM1AKR1A1CHRM3
SCHEMBL23779944 0.77 CHRM1 (0.46) TSHRTDP1CHRM1AKR1A1CHRM3
SCHEMBL5859582 0.77 CHRM1 (0.46) TSHRTDP1CHRM1AKR1A1CHRM3
SCHEMBL23779934 0.75 TSHR (0.37) TSHRTDP1HSD17B10CHRM1AKR1A1
SCHEMBL23779935 0.75 TSHR (0.37) TSHRTDP1HSD17B10CHRM1AKR1A1
SCHEMBL16499617 0.74
SCHEMBL5744404 0.73 TSHR (0.36) TSHRTDP1HSD17B10CHRM1AKR1A1
SCHEMBL3710172 0.73 CHRM1 (0.38) TSHRTDP1CHRM1AKR1A1CHRM3

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-105319638-A Method for manufacturing polarizing plate SUMITOMO CHEMICAL CO 2016-02-10 CN disclosed