SCHEMBL27930878

C=C1C(=O)OC2C1CCC(C)(O)C13C=CC(C)(C21)C1(C3)C(=O)OC2C3C(C)=CCC3C(C)(O)CC(OC(C)=O)C21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	GAA	P10253	1/20	1.00

▸	MAPT	P10636	1/20	1.00

▸	MAPK1	P28482	1/20	1.00

▸	HTT	P42858	1/20	1.00

▸	FNTA	P49354	1/20	0.33

▸	FNTB	P49356	1/20	0.33

▸	PGGT1B	P53609	1/20	0.33

▸	CYP19A1	P11511	2/20	0.33

▸	UBE2D3	P61077	2/20	0.32

▸	USP2	O75604	1/20	0.31

▸	CYP3A4	P08684	1/20	0.31

▸	PKM	P14618	2/20	0.30

▸	NLRP3	Q96P20	1/20	0.30

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
SCHEMBL29627140	1.00	GAA (1.00)	GAAMAPTMAPK1HTTFNTA
Cumambrin A SCHEMBL29770064	0.73	MAPT (0.56)	GAAMAPTMAPK1HTTFNTA
SCHEMBL8720626	0.73	MAPT (0.58)	GAAMAPTMAPK1HTTCYP19A1
SCHEMBL8716078	0.73	GAA (0.57)	GAAMAPTMAPK1HTTCYP19A1
SCHEMBL29711503	0.71	GAA (0.55)	GAAMAPTMAPK1HTTCYP19A1
SCHEMBL30748700	0.63	ALDH1A1 (0.46)	GAAMAPTMAPK1HTTCYP19A1
Cumambrin B SCHEMBL31055363	0.62	CYP19A1 (0.47)	GAAMAPTMAPK1HTTFNTA
Gaillardin SCHEMBL29627440	0.61	PTGS2 (0.43)	GAAMAPTMAPK1HTTFNTA
SCHEMBL29774509	0.57	FNTA (0.47)	GAAMAPTMAPK1HTTFNTA
SCHEMBL21563549	0.56	CYP19A1 (0.42)	GAAMAPTMAPK1HTTFNTA

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
CN-103232469-A	Method for preparing mother chrysanthemum lactone	NANJING ZELANG MEDICAL TECH CO	2013-08-07	—	—	CN	disclosed