Diethylstilbestrol Diphosphate

Diethylstilbestrol Diphosphate

SCHEMBL7617243

CC/C(=C(/CC)c1ccc(OC)cc1)c1ccc(OC)cc1.CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1

nearest known ligand 0.87

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 1/20 0.49
BLM P54132 1/20 0.87
NR1I2 O75469 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
STS P08842 1/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
PTGS2 P35354 1/20 0.46
SRC P12931 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PLK1 P53350 1/20 0.43
GSK3B P49841 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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 SCHEMBL6231203 0.93 BLM (1.00) BLMNR1I2SMN1; SMN2ESR1RECQL
Diethylstilbestrol Diphosphate SCHEMBL9370 0.93 BLM (1.00) BLMNR1I2SMN1; SMN2ESR1RECQL
Diethylstilbestrol Diphosphate SCHEMBL2496868 0.91 BLM (0.96) BLMNR1I2SMN1; SMN2ESR1RECQL
Diethylstilbestrol Diphosphate SCHEMBL809597 0.91 BLM (0.96) BLMNR1I2SMN1; SMN2ESR1RECQL
Diethylstilbestrol Diphosphate SCHEMBL3664191 0.90 BLM (0.93) BLMNR1I2SMN1; SMN2ESR1RECQL
Diethylstilbestrol Diphosphate SCHEMBL5561062 0.89 BLM (0.68) BLMNR1I2SMN1; SMN2ESR1RECQL
SCHEMBL707841 0.87 BLM (0.87) BLMNR1I2SMN1; SMN2ESR1RECQL
SCHEMBL707840 0.87 BLM (0.87) BLMNR1I2SMN1; SMN2ESR1RECQL
SCHEMBL14608595 0.84 BLM (0.81) BLMNR1I2SMN1; SMN2ESR1RECQL
SCHEMBL554921 0.84 NR1I2 (1.00) BLMNR1I2SMN1; SMN2ESR1RECQL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235561-A2 FAST DISSOLVING COMPOSITION WITH PROLONGED SWEET TASTE Panacea Biotec Limited (IN) 2002-09-04 EP disclosed
WO-2001039749-A2 FAST DISSOLVING COMPOSITION WITH PROLONGED SWEET TASTE PANACEA BIOTEC LIMITED (IN) 2001-06-07 WO disclosed