SCHEMBL6937381

SCHEMBL6937381

COCCCCC(=O)Oc1ccc(OC)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
LMNA P02545 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
HSD17B10 Q99714 2/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 2/20 0.54
EGFR P00533 2/20 0.52
ERBB2 P04626 2/20 0.52
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL13557799 0.91 KMT2A (0.64) KMT2ALMNAALDH1A1MAPTHSD17B10
SCHEMBL18381106 0.89 KMT2A (0.62) KMT2ALMNAALDH1A1MAPTHSD17B10
SCHEMBL13557797 0.89 KMT2A (0.62) KMT2ALMNAALDH1A1MAPTHSD17B10
SCHEMBL14984017 0.87 KMT2A (0.64) KMT2ALMNAALDH1A1MAPTHSD17B10
SCHEMBL13557791 0.86 KMT2A (0.75) KMT2ALMNAALDH1A1MAPTHSD17B10
SCHEMBL10533621 0.84 LMNA (0.58) KMT2ALMNAALDH1A1MAPTHSD17B10
SCHEMBL4642483 0.84 KMT2A (0.56) KMT2ALMNAALDH1A1MAPTHSD17B10
SCHEMBL8631220 0.83 KMT2A (0.76) KMT2ALMNAALDH1A1MAPTHSD17B10
SCHEMBL14524473 0.83 KMT2A (0.47) KMT2ALMNAALDH1A1MAPTHSD17B10
SCHEMBL20275175 0.83 KMT2A (0.55) KMT2ALMNAALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed