Estradiol Dipropionate

Estradiol Dipropionate

SCHEMBL5487956

CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CC)CC[C@@H]12.C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Estradiol Dipropionate. 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 7/20 0.70
MAPT P10636 8/20 0.85
KMT2A Q03164 8/20 0.85
MEN1 O00255 6/20 0.85
THRB P10828 1/20 0.85
CYP3A4 P08684 7/20 0.80
TP53 P04637 4/20 0.80
ALOX15 P16050 3/20 0.80
MAPK1 P28482 3/20 0.80
LMNA P02545 11/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
PGR P06401 4/20 0.70
AR P10275 4/20 0.70
ADORA3 P0DMS8 4/20 0.70
ATM Q13315 3/20 0.70
CHRM1 P11229 2/20 0.70
TBXA2R P21731 2/20 0.70
PTGS1 P23219 2/20 0.70
PDE3A Q14432 2/20 0.70
POLB P06746 1/20 0.70

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
Estradiol Propionate SCHEMBL28092621 0.94 MAPT (0.91) MAPTKMT2AMEN1THRBCYP3A4
Estradiol Dipropionate SCHEMBL30595753 0.92 MAPT (1.00) MAPTKMT2AMEN1THRBCYP3A4
Estradiol Dipropionate SCHEMBL11325156 0.92 MAPT (1.00) MAPTKMT2AMEN1THRBCYP3A4
Estradiol Dipropionate SCHEMBL23261681 0.92 MAPT (1.00) MAPTKMT2AMEN1THRBCYP3A4
Estradiol Dipropionate SCHEMBL348106 0.92 MAPT (1.00) MAPTKMT2AMEN1THRBCYP3A4
Estradiol Dipropionate SCHEMBL23262384 0.92 MAPT (1.00) MAPTKMT2AMEN1THRBCYP3A4
Estradiol Dipropionate SCHEMBL11698942 0.92 MAPT (0.82) MAPTKMT2AMEN1THRBCYP3A4
SCHEMBL547293 0.91 LMNA (0.80) MAPTKMT2AMEN1THRBCYP3A4
Estradiol Propionate SCHEMBL480992 0.90 MAPT (1.00) MAPTKMT2AMEN1THRBCYP3A4
Estradiol Propionate SCHEMBL30384276 0.90 MAPT (1.00) MAPTKMT2AMEN1THRBCYP3A4

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