SCHEMBL6934183

SCHEMBL6934183

CC(=O)OC(COc1ccccc1)COc1ccc(C(C)(C)c2ccc(OCC(COc3ccccc3)OC(C)=O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.70
▸ POLB P06746 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KDM4E B2RXH2 6/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ THRB P10828 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ MTNR1A P48039 3/20 0.46
▸ MTNR1B P49286 3/20 0.46

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
SCHEMBL3364884 0.88 POLB (0.60) ARPOLBMAPTKDM4EKMT2A
SCHEMBL13991656 0.88 AR (0.56) ARPOLBKDM4EALDH1A1TDP1
SCHEMBL19827604 0.86 AR (0.67) ARPOLBMAPTKDM4EALDH1A1
SCHEMBL14174325 0.84 AR (0.65) ARPOLBMAPTKDM4EALDH1A1
SCHEMBL16232989 0.83 AR (0.82) ARPOLBMAPTKDM4EALDH1A1
Ralaniten Acetate SCHEMBL16232961 0.83 AR (1.00) ARPOLBMAPTKDM4EALDH1A1
SCHEMBL16226899 0.83 AR (0.82) ARPOLBMAPTKDM4EALDH1A1
Ralaniten Acetate SCHEMBL16232958 0.83 AR (1.00) ARPOLBMAPTKDM4EALDH1A1
SCHEMBL16226900 0.83 AR (0.82) ARPOLBMAPTKDM4EALDH1A1
Ralaniten Acetate SCHEMBL16232963 0.83 AR (1.00) ARPOLBMAPTKDM4EALDH1A1

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
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