Estradiol Cypionate

Estradiol Cypionate

SCHEMBL3199191

CC(=O)O.C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Estradiol Cypionate. 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 6/20 0.87
LMNA P02545 9/20 0.87
MAPT P10636 7/20 0.87
KMT2A Q03164 7/20 0.87
CYP3A4 P08684 6/20 0.87
MEN1 O00255 6/20 0.87
PGR P06401 4/20 0.87
AR P10275 4/20 0.87
TP53 P04637 3/20 0.87
MAPK1 P28482 3/20 0.87
ADORA3 P0DMS8 3/20 0.87
PTGS1 P23219 2/20 0.87
PDE3A Q14432 2/20 0.87
CYP2C19 P33261 2/20 0.87
PDE4A P27815 1/20 0.87
SMN1; SMN2 Q16637 4/20 0.72
HIF1A Q16665 2/20 0.72
ALOX15 P16050 3/20 0.71
CHRM1 P11229 2/20 0.71
TBXA2R P21731 2/20 0.71

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 Cypionate SCHEMBL6195927 0.98 LMNA (0.92) LMNAMAPTKMT2ACYP3A4MEN1
Estradiol Cypionate SCHEMBL29404977 0.93 LMNA (1.00) LMNAMAPTKMT2ACYP3A4MEN1
Estradiol Cypionate SCHEMBL28333106 0.93 LMNA (1.00) LMNAMAPTKMT2ACYP3A4MEN1
Estradiol Cypionate SCHEMBL19236258 0.93 LMNA (1.00) LMNAMAPTKMT2ACYP3A4MEN1
Estradiol Cypionate SCHEMBL41551 0.93 LMNA (1.00) LMNAMAPTKMT2ACYP3A4MEN1
Estradiol Cypionate SCHEMBL20130822 0.93 LMNA (1.00) LMNAMAPTKMT2ACYP3A4MEN1
Estradiol Cypionate SCHEMBL12754433 0.93 LMNA (1.00) LMNAMAPTKMT2ACYP3A4MEN1
Estradiol Cypionate SCHEMBL7180612 0.89 LMNA (0.74) LMNAMAPTKMT2ACYP3A4MEN1
Estradiol Undecylate SCHEMBL547225 0.88 LMNA (0.82) LMNAMAPTKMT2ACYP3A4MEN1
Estradiol Valerate SCHEMBL4929892 0.87 LMNA (0.93) LMNAMAPTKMT2ACYP3A4MEN1

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
US-20100023344-A1 System and device for maintaining physiological levels of steroid hormone in a subject SEARETE LLC, A LIMITED LIABILITY CORPORATION OF THE STATE OF DELAWARE 2010-01-28 US disclosed