2-Methoxyestradiol

2-Methoxyestradiol

SCHEMBL7052497

COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
HSD17B10 Q99714 2/20 1.00
CYP1A1 P04798 2/20 1.00
CYP1B1 Q16678 2/20 1.00
MEN1 O00255 2/20 1.00
LMNA P02545 2/20 1.00
GAA P10253 2/20 1.00
MAPT P10636 2/20 1.00
KMT2A Q03164 2/20 1.00
SHBG P04278 2/20 1.00
TP53 P04637 1/20 1.00
TSHR P16473 1/20 1.00
NFKB1 P19838 1/20 1.00
CYP2C19 P33261 1/20 1.00
THPO P40225 1/20 1.00
GMNN O75496 1/20 1.00
MTOR P42345 1/20 1.00
BLM P54132 1/20 1.00

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
2-Methoxyestradiol SCHEMBL13123068 1.00 CYP19A1 (1.00) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1
2-Methoxyestradiol SCHEMBL2610023 1.00 CYP19A1 (1.00) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1
2-Methoxyestradiol SCHEMBL8796 1.00 CYP19A1 (1.00) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1
2-Methoxyestradiol SCHEMBL26936622 1.00 CYP19A1 (1.00) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1
2-Methoxyestradiol SCHEMBL119439 1.00 CYP19A1 (1.00) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1
2-Methoxyestradiol SCHEMBL14252882 1.00 CYP19A1 (1.00) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1
2-Methoxyestradiol SCHEMBL23261536 1.00 CYP19A1 (1.00) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1
2-Methoxyestradiol SCHEMBL29357742 1.00 CYP19A1 (1.00) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1
SCHEMBL8489736 0.95 CYP1A1 (1.00) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1
SCHEMBL4896510 0.95 CYP1A1 (1.00) CYP19A1CYP1A2CYP3A4HSD17B10CYP1A1

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-0923376-B1 USE OF STEROIDS FOR TREATMENT OF ASTHMA AND AIRWAY DISEASES AMRAD OPERATIONS PTY LTD (AU) 2004-11-03 EP disclosed
US-6200966-B1 FOR TREATING CHRONIC AND ACUTE INFLAMMATION OF AIRWAYS, INCLUDING ASTHMATIC CONDITIONS AMRAD OPERATIONS PTY. LTD. (AU) 2001-03-13 US disclosed