SCHEMBL13199066

SCHEMBL13199066

C=C(C)C(=O)OCCN(C)C(=O)CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
TSHR P16473 5/20 0.49
ALDH1A1 P00352 5/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRNA4 P43681 1/20 0.33
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DNM1 Q05193 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 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
SCHEMBL4909822 0.86 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4196703 0.83 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16309298 0.83 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4916318 0.83 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9312196 0.82 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1326895 0.81 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9806275 0.81 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4916636 0.81 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15249367 0.81 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL22709492 0.81 ALDH1A1 (0.48) TSHRALDH1A1HTTCHRM2CHRM4

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-2221348-A2 Pigment dispersion composition, colored curable composition, color filter, liquid crystal display device and solid-state image sensor FUJIFILM Corporation (JP) 2010-08-25 EP disclosed