Edelfosine

Edelfosine

SCHEMBL4177817

CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)OCC[N+](C)(C)C)OC

nearest known ligand 0.73

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 3/20 0.73
▸ PRKD3 O94806 2/20 0.73
▸ PRKCG P05129 2/20 0.73
▸ PRKCB P05771 2/20 0.73
▸ PRKCA P17252 2/20 0.73
▸ PRKCH P24723 2/20 0.73
▸ PRKCI P41743 2/20 0.73
▸ PRKCE Q02156 2/20 0.73
▸ PRKCQ Q04759 2/20 0.73
▸ PRKCZ Q05513 2/20 0.73
▸ PRKCD Q05655 2/20 0.73
▸ PRKD1 Q15139 2/20 0.73
▸ ALDH1A1 P00352 1/20 0.73
▸ MAPK1 P28482 1/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ GMNN O75496 1/20 0.73
▸ LMNA P02545 1/20 0.73
▸ BLM P54132 1/20 0.73
▸ KMT2A Q03164 1/20 0.73

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
SCHEMBL14447847 1.00 AKT1 (0.73) AKT1PRKD3PRKCGPRKCBPRKCA
SCHEMBL27603790 1.00 AKT1 (0.73) AKT1PRKD3PRKCGPRKCBPRKCA
SCHEMBL12380305 1.00 AKT1 (0.73) AKT1PRKD3PRKCGPRKCBPRKCA
SCHEMBL29464127 1.00 AKT1 (0.73) AKT1PRKD3PRKCGPRKCBPRKCA
SCHEMBL8257173 1.00 AKT1 (0.73) AKT1PRKD3PRKCGPRKCBPRKCA
Edelfosine SCHEMBL8251942 1.00 AKT1 (0.73) AKT1PRKD3PRKCGPRKCBPRKCA
SCHEMBL23016734 1.00 AKT1 (0.73) AKT1PRKD3PRKCGPRKCBPRKCA
Edelfosine SCHEMBL1962471 1.00 AKT1 (0.73) AKT1PRKD3PRKCGPRKCBPRKCA
Edelfosine SCHEMBL28728461 0.94 AKT1 (0.65) AKT1PRKD3PRKCGPRKCBPRKCA
Edelfosine SCHEMBL28728460 0.94 AKT1 (0.65) AKT1PRKD3PRKCGPRKCBPRKCA

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
WO-2009137087-A2 A METHOD FOR PREVENTING OR ALLEVIATING THE NOXIOUS EFFECTS RESULTING FROM TOXICANT EXPOSURE YALE UNIVERSITY (US) 2009-11-12 — — WO disclosed
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