SCHEMBL28847101

SCHEMBL28847101

C=CC(=O)OC(CCC)C(C)(C)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
THRB P10828 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL23494171 0.82 TSHR (0.41) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL28697448 0.79 TSHR (0.39) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL11490781 0.74 TSHR (0.40) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL28360932 0.73 TSHR (0.37) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL28662344 0.73 TSHR (0.41) TSHRHPGDTHRBCA2
SCHEMBL1561977 0.73 TSHR (0.42) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL9545994 0.72 TSHR (0.45) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL544590 0.72 TSHR (0.45) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL26124894 0.72 TSHR (0.36) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL8639740 0.72 TSHR (0.36) TSHRHPGDALDH1A1TP53CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107206828-B Original edition of lithographic printing plate, its manufacturing method and the printing process using it 富士胶片株式会社 2019-10-25 CN disclosed
CN-107206828-A Original edition of lithographic printing plate, its manufacture method and utilize its printing process 富士胶片株式会社 2017-09-26 CN disclosed