SCHEMBL17707229

SCHEMBL17707229

[O]CCCCOCCCO

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL7293437 0.97 GAA (0.45) GAAMEN1KMT2ATHRBHTT
SCHEMBL5176428 0.94 GAA (0.47) GAAMEN1KMT2ATHRBHTT
SCHEMBL5174979 0.94 GAA (0.47) GAAMEN1KMT2ATHRBHTT
SCHEMBL4599949 0.92
SCHEMBL10935554 0.89
SCHEMBL4275729 0.89 GAA (0.47) GAAMEN1KMT2ATHRBHTT
SCHEMBL5175425 0.89 TSHR (0.40) GAAMEN1KMT2ATHRBHTT
SCHEMBL8686835 0.86 MEN1 (0.56) GAAMEN1KMT2ATHRBHTT
SCHEMBL11140975 0.86 MEN1 (0.58) GAAMEN1KMT2ATHRBHTT
SCHEMBL4267716 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
EP-3015516-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL Nippon Kayaku Kabushiki Kaisha (JP) 2016-05-04 EP disclosed