SCHEMBL5050848

SCHEMBL5050848

C=C(C)C(=O)OCCC(CCC)P(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
THRB P10828 1/20 0.46
FDPS P14324 3/20 0.37
ALDH1A1 P00352 2/20 0.37
METAP1 P53582 2/20 0.36
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL1263018 0.83 THRB (0.41) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL5059000 0.79 TSHR (0.51) TSHRTHRBFDPSALDH1A1POLB
SCHEMBL5057246 0.78 TSHR (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11584823 0.78 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8602798 0.78 THRB (0.46) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL5058993 0.77 TSHR (0.51) TSHRTHRBFDPSALDH1A1METAP1
Phosphoric Acid SCHEMBL27505922 0.77 TSHR (0.60) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1264172 0.77 FOLH1 (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL5058913 0.76 TSHR (0.47) TSHRTHRBFDPSALDH1A1TDP1
SCHEMBL1132960 0.76 TSHR (0.55) TSHRTHRBALDH1A1POLBAPEX1

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-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 US disclosed