SCHEMBL9788360

SCHEMBL9788360

C=C(C)C(=O)OCCC(CCCCCOC(N)=O)(CCOC(=O)C(=C)C)OC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.37
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
LMNA P02545 1/20 0.30
HTR1A P08908 1/20 0.30
CHRNB2 P17787 1/20 0.30
CYP2C19 P33261 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL30064647 0.92 TSHR (0.46) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7061571 0.83 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL29457308 0.81 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5610739 0.78 TSHR (0.60) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9547590 0.77 ALOX15 (0.38) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL19019800 0.77 TSHR (0.60) TSHRPOLBAPEX1HTTTDP1
SCHEMBL6829110 0.76 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19019783 0.76 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL30827212 0.76 TSHR (0.41) TSHRPOLBAPEX1HTTTDP1
SCHEMBL29831625 0.75 ALDH1A1 (0.37) TSHRLMNA

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
US-5063257-A DENTAL GLASS IONOMER CEMENT COMPOSITIONS G-C DENTAL INDUSTRIAL CORP. (JP) 1991-11-05 US disclosed