Epitestosterone

Epitestosterone

SCHEMBL11169161

C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AR

The experimentally established mechanism targets of Epitestosterone. 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
▸ AR known ✓ P10275 6/20 1.00
▸ LMNA P02545 5/20 1.00
▸ CYP3A4 P08684 5/20 1.00
▸ SHBG P04278 5/20 1.00
▸ CYP19A1 P11511 4/20 1.00
▸ TSHR P16473 4/20 1.00
▸ MAPT P10636 4/20 1.00
▸ HSD17B10 Q99714 3/20 1.00
▸ NR3C1 P04150 3/20 1.00
▸ PGR P06401 3/20 1.00
▸ SERPINA6 P08185 3/20 1.00
▸ GPBAR1 Q8TDU6 3/20 1.00
▸ SIGMAR1 Q99720 3/20 1.00
▸ MAPK1 P28482 3/20 1.00
▸ SNCA P37840 2/20 1.00
▸ CACNA1C Q13936 2/20 1.00
▸ CYP51A1 Q16850 2/20 1.00
▸ OR51E2 Q9H255 1/20 1.00
▸ ESR2 Q92731 3/20 0.73
▸ ESR1 P03372 1/20 0.73

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
Epitestosterone SCHEMBL4367142 1.00 AR (1.00) ARLMNACYP3A4SHBGCYP19A1
Epitestosterone SCHEMBL14007478 1.00 AR (1.00) ARLMNACYP3A4SHBGCYP19A1
Epitestosterone SCHEMBL13988208 1.00 AR (1.00) ARLMNACYP3A4SHBGCYP19A1
Testosterone SCHEMBL15756675 1.00 AR (1.00) ARLMNACYP3A4SHBGCYP19A1
Epitestosterone SCHEMBL13988209 1.00 AR (1.00) ARLMNACYP3A4SHBGCYP19A1
Testosterone SCHEMBL8452 1.00 AR (1.00) ARLMNACYP3A4SHBGCYP19A1
Epitestosterone SCHEMBL13988894 1.00 AR (1.00) ARLMNACYP3A4SHBGCYP19A1
Epitestosterone SCHEMBL21957465 1.00 AR (1.00) ARLMNACYP3A4SHBGCYP19A1
Epitestosterone SCHEMBL22704809 1.00 AR (1.00) ARLMNACYP3A4SHBGCYP19A1
Epitestosterone SCHEMBL334193 1.00 AR (1.00) ARLMNACYP3A4SHBGCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0008952-B1 STEROID INTERMEDIATE, METHOD FOR PRODUCTION THEREOF AND METHOD OF PRODUCING ANOTHER STEROID INTERMEDIATE THEREFROM Takeda Chemical Industries, Ltd. (JP) 1983-04-13 — — EP disclosed
EP-0008951-B1 STEROID INTERMEDIATE, METHOD FOR PRODUCTION THEREOF, AND METHOD FOR PRODUCING ANOTHER STEROID INTERMEDIATE THEREFROM Takeda Chemical Industries, Ltd. (JP) 1982-01-06 — — EP disclosed
US-4267377-A Intermediates for steroid synthesis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-05-12 — — US disclosed
EP-0008952-A2 Steroid intermediate, method for production thereof and method of producing another steroid intermediate therefrom Takeda Chemical Industries, Ltd. (JP) 1980-03-19 — — EP disclosed
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