SCHEMBL19906419

SCHEMBL19906419

C=C(C)C(=O)OCC(O)CCOC=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
THRB P10828 1/20 0.39
ALDH1A1 P00352 3/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL20001736 0.85 TSHR (0.53) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL3680977 0.84 TSHR (0.57) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL27542565 0.79 TSHR (0.47) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL11232229 0.79 TSHR (0.59) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL94906 0.78 TSHR (0.68) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL8965903 0.78 TSHR (0.53) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL328805 0.78 TSHR (0.57) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL964801 0.78 TSHR (0.57) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL164047 0.77 THRB (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL19998240 0.77 TSHR (0.65) TSHRTHRBALDH1A1USP2CYP3A4

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
EP-2735444-B1 Lithographic printing plate precursor for newspaper printing and method for producing the same, and plate making method of lithographic printing plate FUJIFILM CORP (JP) 2018-02-28 EP disclosed