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Etonogestrel

Etonogestrel

SCHEMBL484265

C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC.C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PGR

The experimentally established mechanism targets of Etonogestrel. 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
▸ PGR known ✓ P06401 8/20 1.00
▸ SHBG P04278 9/20 1.00
▸ ESR1 P03372 6/20 1.00
▸ AR P10275 6/20 1.00
▸ OPRM1 P35372 3/20 1.00
▸ SLC6A4 P31645 6/20 0.72
▸ NR3C1 P04150 4/20 0.72
▸ NR1I2 O75469 3/20 0.72
▸ ADORA3 P0DMS8 2/20 0.72
▸ SLC6A3 Q01959 2/20 0.72
▸ PDE4D Q08499 2/20 0.72
▸ CHRM2 P08172 1/20 0.72
▸ DRD1 P21728 1/20 0.72
▸ PTGS1 P23219 1/20 0.72
▸ SLC6A2 P23975 1/20 0.72
▸ AGTR1 P30556 1/20 0.72
▸ CCKBR P32239 1/20 0.72
▸ DRD3 P35462 1/20 0.72
▸ KCNH2 Q12809 1/20 0.72
▸ LMNA P02545 5/20 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
Etonogestrel SCHEMBL14946854 1.00 SHBG (1.00) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL1649327 1.00 SHBG (1.00) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL19510085 1.00 SHBG (1.00) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL117703 1.00 SHBG (1.00) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL6462179 1.00 SHBG (1.00) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL28648883 0.99 SHBG (0.98) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL14941286 0.93 SHBG (0.87) SHBGPGRESR1AROPRM1
SCHEMBL20851741 0.93 SHBG (0.86) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL5729815 0.90 SHBG (0.81) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL6150744 0.90 SHBG (0.81) SHBGPGRESR1AROPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675838-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS Puretecch LYT, Inc. (US) 2020-07-08 — — EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 — — WO disclosed
US-9981071-B2 Drug delivery medical device MICELL TECHNOLOGIES, INC. (US) 2018-05-29 — — US disclosed
US-20170136155-A1 DRUG DELIVERY MEDICAL DEVICE MICELL TECHNOLOGIES, INC. (US) 2017-05-18 — — US disclosed
US-9486431-B2 Drug delivery medical device MICELL TECHNOLOGIES, INC. (US) 2016-11-08 — — US disclosed
EP-2411083-A2 DRUG DELIVERY MEDICAL DEVICE Micell Technologies, Inc. (US) 2012-02-01 — — EP disclosed
EP-2313122-A1 DRUG DELIVERY MEDICAL DEVICE Micell Technologies, Inc. (US) 2011-04-27 — — EP disclosed
WO-2010111232-A9 DRUG DELIVERY MEDICAL DEVICE MICELL TECHNOLOGIES, INC. (US) 2011-03-03 — — WO disclosed
WO-2010111232-A2 DRUG DELIVERY MEDICAL DEVICE MICELL TECHNOLOGIES, INC. (US) 2010-09-30 — — WO disclosed
US-20100239635-A1 DRUG DELIVERY MEDICAL DEVICE MICELL TECHNOLOGIES, INC. (US) 2010-09-23 — — US disclosed
WO-2010009335-A1 DRUG DELIVERY MEDICAL DEVICE MICELL TECHNOLOGIES, INC. (US) 2010-01-21 — — WO disclosed
US-20100015200-A1 Drug Delivery Medical Device MICELL TECHNOLOGIES, INC. (US) 2010-01-21 — — US disclosed