SCHEMBL19906339

SCHEMBL19906339

C=C(C)C(=O)OCC(O)CCC(=O)CCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
THRB P10828 1/20 0.35
ALDH1A1 P00352 3/20 0.33
CA1 P00915 2/20 0.33
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL23353404 0.84 TSHR (0.46) TSHRTHRBALDH1A1MAPT
SCHEMBL2781460 0.83 TSHR (0.61) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL2781184 0.82 TSHR (0.59) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL2780028 0.82 TSHR (0.59) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL1755520 0.80 TSHR (0.55) TSHRTHRBALDH1A1CA1
SCHEMBL11232229 0.79 TSHR (0.59) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL872099 0.79 TSHR (0.50) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL94906 0.78 TSHR (0.68) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL19519756 0.78 TSHR (0.68) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL964801 0.78 TSHR (0.57) 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