Diethylstilbestrol Diphosphate

Diethylstilbestrol Diphosphate

SCHEMBL5488347

CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1.N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1ESR2

The experimentally established mechanism targets of Diethylstilbestrol Diphosphate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 4/20 0.46
ESR2 known ✓ Q92731 2/20 0.36
BLM P54132 1/20 0.74
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 3/20 0.46
HIF1A Q16665 2/20 0.46
RECQL P46063 1/20 0.46
NR1I2 O75469 4/20 0.44
STS P08842 1/20 0.41
SRC P12931 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
EBP Q15125 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
NR3C1 P04150 2/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 2/20 0.36
FYN P06241 2/20 0.36

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
Diethylstilbestrol Diphosphate SCHEMBL2496868 0.88 BLM (0.96) BLMESR1SMN1; SMN2KMT2AHIF1A
Diethylstilbestrol Diphosphate SCHEMBL809597 0.88 BLM (0.96) BLMESR1SMN1; SMN2KMT2AHIF1A
Diethylstilbestrol Diphosphate SCHEMBL9370 0.86 BLM (1.00) BLMESR1SMN1; SMN2KMT2AHIF1A
Diethylstilbestrol Diphosphate SCHEMBL6231203 0.86 BLM (1.00) BLMESR1SMN1; SMN2KMT2AHIF1A
Diethylstilbestrol Diphosphate SCHEMBL3664191 0.83 BLM (0.93) BLMESR1SMN1; SMN2KMT2AHIF1A
SCHEMBL707840 0.80 BLM (0.87) BLMESR1SMN1; SMN2KMT2AHIF1A
SCHEMBL707841 0.80 BLM (0.87) BLMESR1SMN1; SMN2KMT2AHIF1A
Diethylstilbestrol Diphosphate SCHEMBL7617243 0.80 BLM (0.87) BLMESR1SMN1; SMN2KMT2AHIF1A
SCHEMBL14608595 0.78 BLM (0.81) BLMESR1SMN1; SMN2KMT2AHIF1A
Diethylstilbestrol Diphosphate SCHEMBL8937910 0.73 BLM (0.72) BLMESR1SMN1; SMN2KMT2AHIF1A

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-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 WO disclosed