SCHEMBL19906417

SCHEMBL19906417

C=CCOC(=O)C(C)(N)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
TSHR P16473 2/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
RHOA P61586 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
POLB P06746 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
SCHEMBL1680282 0.83 MAPT (0.40) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL10454577 0.82 MAPT (0.39) MAPTTSHRCACNA1BAPBA1CYP3A4
Water SCHEMBL10920602 0.82 MAPT (0.39) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL8824271 0.80 TSHR (0.33) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL25689533 0.80 MAPT (0.38) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL8580033 0.79 TSHR (0.40) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL13658776 0.79 TSHR (0.40) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL7866089 0.79 TSHR (0.42) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL194466 0.79 TSHR (0.42) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL1680215 0.77 TSHR (0.40) MAPTTSHRCACNA1BAPBA1CYP3A4

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