Diethylstilbestrol Diphosphate

Diethylstilbestrol Diphosphate

SCHEMBL8937910

CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1.O[C@H]([C@H](O)[C@@H](O)CBr)[C@H](O)CBr

nearest known ligand 0.72

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 2/20 0.42
ESR2 known ✓ Q92731 1/20 0.35
BLM P54132 1/20 0.72
NR1I2 O75469 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 2/20 0.42
RECQL P46063 1/20 0.42
STS P08842 1/20 0.40
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SRC P12931 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
NR3C1 P04150 1/20 0.35

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 SCHEMBL9370 0.85 BLM (1.00) BLMNR1I2SMN1; SMN2ESR1KMT2A
Diethylstilbestrol Diphosphate SCHEMBL6231203 0.85 BLM (1.00) BLMNR1I2SMN1; SMN2ESR1KMT2A
Diethylstilbestrol Diphosphate SCHEMBL809597 0.83 BLM (0.96) BLMNR1I2SMN1; SMN2ESR1KMT2A
Diethylstilbestrol Diphosphate SCHEMBL2496868 0.83 BLM (0.96) BLMNR1I2SMN1; SMN2ESR1KMT2A
Diethylstilbestrol Diphosphate SCHEMBL3664191 0.82 BLM (0.93) BLMNR1I2SMN1; SMN2ESR1KMT2A
SCHEMBL707840 0.79 BLM (0.87) BLMNR1I2SMN1; SMN2ESR1KMT2A
SCHEMBL707841 0.79 BLM (0.87) BLMNR1I2SMN1; SMN2ESR1KMT2A
Diethylstilbestrol Diphosphate SCHEMBL7617243 0.79 BLM (0.87) BLMNR1I2SMN1; SMN2ESR1KMT2A
SCHEMBL14608595 0.77 BLM (0.81) BLMNR1I2SMN1; SMN2ESR1KMT2A
Diethylstilbestrol Diphosphate SCHEMBL8153893 0.74 BLM (0.70) BLMNR1I2SMN1; SMN2ESR1KMT2A

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-0678031-A4 TISSUE-DERIVED TUMOR GROWTH INHIBITORS, METHODS OF PREPARATION AND USES THEREOF. ONCOGENE SCIENCE INC (US) 1996-07-17 EP disclosed
EP-0678031-A1 TISSUE-DERIVED TUMOR GROWTH INHIBITORS, METHODS OF PREPARATION AND USES THEREOF Oncogene Science, Inc. (US) 1995-10-25 EP disclosed
WO-1994006459-A9 TISSUE-DERIVED TUMOR GROWTH INHIBITORS, METHODS OF PREPARATION AND USES THEREOF 1994-05-26 WO disclosed
WO-1994006459-A1 TISSUE-DERIVED TUMOR GROWTH INHIBITORS, METHODS OF PREPARATION AND USES THEREOF ONCOGENE SCIENCE, INC. (US) 1994-03-31 WO disclosed