SCHEMBL11421869

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(OC5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	VDR	P11473	2/20	0.53

▸	USP2	O75604	1/20	0.53

▸	NR1H4	Q96RI1	1/20	0.53

▸	HPSE	Q9Y251	15/20	0.52

▸	FGF1	P05230	9/20	0.52

▸	FGF2	P09038	8/20	0.51

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
SCHEMBL12591000	0.84	HPSE (0.64)	HPSEFGF1FGF2
SCHEMBL4735244	0.83	VDR (0.75)	VDRUSP2
SCHEMBL4735246	0.83	VDR (0.75)	VDRUSP2
SCHEMBL18508117	0.83	VDR (0.75)	VDRUSP2
SCHEMBL12590996	0.81	HPSE (0.59)	HPSEFGF1FGF2
SCHEMBL2058821	0.81	HPSE (0.59)	HPSEFGF1FGF2
SCHEMBL30514711	0.79	POLB (0.64)	—
SCHEMBL2059338	0.78	HPSE (0.54)	HPSEFGF1FGF2
SCHEMBL21927842	0.78	VDR (0.57)	VDRUSP2
SCHEMBL4738103	0.78	VDR (0.62)	VDRUSP2

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
US-4235992-A	ACETYLATION, CHROMATOGRAPHY	NIPPON SHINYAKU CO., LTD. (JP)	1980-11-25	—	—	US	disclosed