SCHEMBL27985385

SCHEMBL27985385

C=C(C)C(=O)OCCCCCCCCCCOP(=O)(OOC)OOC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.36
LPAR3 Q9UBY5 4/20 0.33
LPAR2 Q9HBW0 3/20 0.33
LPAR1 Q92633 2/20 0.33
CYP3A4 P08684 2/20 0.32

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
SCHEMBL5958661 0.89 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5958681 0.89 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3195852 0.89 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL180279 0.89 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5958668 0.89 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27985384 0.87 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL40719 0.87 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27838291 0.85 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL40925 0.83 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3684416 0.82 TSHR (0.51) TSHRPOLBAPEX1HTTTDP1

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-104151350-A Synthetic method of oral adhesive 10-methacryloyloxydecyl dihydrogen phosphate UNIV CHANGCHUN TECHNOLOGY 2014-11-19 CN disclosed