Androstenedone

SCHEMBL14450072

C[C@]12C=CC(=O)C=C1CC[C@@H]1C2CC[C@]2(C)C(=O)CCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	CYP19A1	P11511	17/20	1.00

▸	CYP3A4	P08684	1/20	1.00

▸	LMNA	P02545	2/20	0.66

▸	MAPT	P10636	2/20	0.66

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.

Compound	similarity	top predicted	shared targets
Androstenedone SCHEMBL134061	1.00	CYP19A1 (1.00)	CYP19A1CYP3A4LMNAMAPT
Androstenedone SCHEMBL1144460	1.00	CYP19A1 (1.00)	CYP19A1CYP3A4LMNAMAPT
Androstenedone SCHEMBL172864	1.00	CYP19A1 (1.00)	CYP19A1CYP3A4LMNAMAPT
Androstenedone SCHEMBL12430773	1.00	CYP19A1 (1.00)	CYP19A1CYP3A4LMNAMAPT
Androstenedone SCHEMBL3758714	1.00	CYP19A1 (1.00)	CYP19A1CYP3A4LMNAMAPT
Androstenedone SCHEMBL10597170	0.99	CYP19A1 (0.97)	CYP19A1CYP3A4LMNAMAPT
Androstenedone SCHEMBL4266758	0.92	CYP19A1 (0.84)	CYP19A1CYP3A4LMNA
SCHEMBL6897786	0.88	CYP19A1 (0.79)	CYP19A1CYP3A4LMNAMAPT
SCHEMBL8491921	0.86	CYP19A1 (0.76)	CYP19A1CYP3A4LMNA
SCHEMBL6999301	0.86	CYP19A1 (0.76)	CYP19A1CYP3A4LMNA

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7238507-B2	Aspergillus ochraceus 11 alpha hydroxylase and oxidoreductase	PHARMACIA CORPORATION (US)	2007-07-03	—	—	US	disclosed
US-7238507-B2	Aspergillus ochraceus 11 alpha hydroxylase and oxidoreductase	PHARMACIA CORPORATION (US)	2007-07-03	—	—	US	disclosed