SCHEMBL6673559

C[C@@]12C=CC[C@H]1[C@@H]1CCC3NC(=O)CC[C@]3(C)[C@H]1CC2.C[C@@]12CCC[C@H]1[C@@H]1CC=C3NC(=O)CC[C@]3(C)[C@H]1CC2

nearest known ligand 0.44

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	KDM4E	B2RXH2	1/20	0.44

▸	MAPT	P10636	1/20	0.44

▸	SRD5A1	P18405	5/20	0.43

▸	SRD5A2	P31213	3/20	0.39

▸	AR	P10275	1/20	0.38

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
SCHEMBL6674698	0.82	KDM4E (0.61)	KDM4EMAPTSRD5A1SRD5A2AR
SCHEMBL5183886	0.80	SRD5A1 (0.53)	SRD5A1SRD5A2
SCHEMBL5183889	0.80	SRD5A1 (0.53)	SRD5A1SRD5A2
SCHEMBL8721495	0.79	SRD5A1 (0.57)	SRD5A1SRD5A2AR
SCHEMBL5007912	0.79	SRD5A1 (0.57)	SRD5A1SRD5A2AR
SCHEMBL7596381	0.79	SRD5A1 (0.57)	SRD5A1SRD5A2AR
SCHEMBL9352124	0.79	SRD5A1 (0.57)	SRD5A1SRD5A2AR
SCHEMBL5007914	0.79	SRD5A1 (0.57)	SRD5A1SRD5A2AR
SCHEMBL6673554	0.78	SRD5A1 (0.42)	SRD5A1SRD5A2
SCHEMBL6673557	0.74	SRD5A1 (0.45)	SRD5A1SRD5A2

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1335930-B1	Process for the preparation of 3-oxo-4-azasteroids	GLAXO GROUP LTD (GB)	2004-10-13	—	—	EP	claimed