SCHEMBL16378672

SCHEMBL16378672

C=C(C)C(=O)OCCNNCCOC(=O)C(=C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
TSHR P16473 3/20 0.53
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL31325795 0.90 THRB (0.50) THRBTSHRALDH1A1TDP1POLB
SCHEMBL9321905 0.86 THRB (0.55) THRBTSHRALDH1A1TDP1POLB
SCHEMBL10944624 0.85 THRB (0.46) THRBTSHRALDH1A1TDP1POLB
SCHEMBL14712313 0.84 THRB (0.53) THRBTSHRALDH1A1TDP1POLB
SCHEMBL13950019 0.84 THRB (0.53) THRBTSHRALDH1A1TDP1POLB
SCHEMBL108325 0.84 THRB (0.53) THRBTSHRALDH1A1TDP1POLB
SCHEMBL16588235 0.84 THRB (0.53) THRBTSHRALDH1A1TDP1POLB
SCHEMBL6142874 0.83 THRB (0.74) THRBTSHRALDH1A1TDP1POLB
SCHEMBL15636 0.83 THRB (0.74) THRBTSHRALDH1A1TDP1POLB
SCHEMBL23450538 0.83 THRB (0.52) THRBTSHRALDH1A1TDP1POLB

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-2821854-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR, AND PRODUCTION METHOD FOR LITHOGRAPHIC PRINTING PLATE Fujifilm Corporation (JP) 2015-01-07 EP disclosed