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Tempol Hydroxylamine

Tempol Hydroxylamine

SCHEMBL7143560

CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.CC1(C)CC(O)CC(C)(C)N1O.NCCNCCN.O=P(O)(O)CCCCCP(=O)(O)O

nearest known ligand 0.39

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 9/20 0.39
▸ S1PR1 P21453 9/20 0.39
▸ S1PR3 Q99500 9/20 0.39
▸ S1PR4 O95977 8/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ LPAR3 Q9UBY5 3/20 0.34
▸ LPAR2 Q9HBW0 1/20 0.34
▸ ANPEP P15144 1/20 0.33
▸ GAA P10253 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 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
Tempol Hydroxylamine SCHEMBL1232025 0.86 — —
Tempol Hydroxylamine SCHEMBL7145176 0.86 — —
Tempol Hydroxylamine SCHEMBL3946306 0.85 GAA (0.39) LMNAGAAKDM4EALDH1A1L3MBTL1
SCHEMBL6378021 0.84 KDM4E (0.40) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL7139700 0.84 KDM4E (0.40) S1PR2S1PR1S1PR3S1PR4S1PR5
Tempol Hydroxylamine SCHEMBL27621676 0.81 GAA (0.34) LMNAGAAKDM4EALDH1A1L3MBTL1
Tempol Hydroxylamine SCHEMBL2858010 0.81 GAA (0.34) LMNAGAAKDM4EALDH1A1L3MBTL1
SCHEMBL7143001 0.81 S1PR2 (0.39) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL6377300 0.81 S1PR2 (0.39) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL124979 0.75 LMNA (0.61) S1PR2S1PR1S1PR3S1PR4S1PR5

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-1362083-A1 INK-JET INK AND RECORDING MATERIAL Ciba SC Holding AG (CH) 2003-11-19 — — EP claimed
WO-2002055618-A1 INK-JET INK AND RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-07-18 — — WO claimed
EP-1362083-A1 INK-JET INK AND RECORDING MATERIAL Ciba SC Holding AG (CH) 2003-11-19 — — EP disclosed
WO-2002055618-A1 INK-JET INK AND RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-07-18 — — WO disclosed