Ether

SCHEMBL8586168

C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.CCOCC

nearest known ligand 0.78

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	PTGES	O14684	2/20	0.78

▸	CA9	Q16790	4/20	0.72

▸	SLC10A1	Q14973	2/20	0.71

▸	NT5E	P21589	3/20	0.68

▸	PTPN1	P18031	2/20	0.68

▸	USP2	O75604	1/20	0.68

▸	LMNA	P02545	1/20	0.68

▸	HIF1A	Q16665	1/20	0.68

▸	TOP2A	P11388	1/20	0.68

▸	RELA	Q04206	1/20	0.68

▸	PRKCD	Q05655	1/20	0.60

▸	CA1	P00915	1/20	0.60

▸	CA2	P00918	1/20	0.60

▸	CETP	P11597	1/20	0.59

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
SCHEMBL10214430	0.96	PTGES (0.83)	PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL6112807	0.96	PTGES (0.83)	PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL2733537	0.96	PTGES (0.83)	PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL14345008	0.96	PTGES (0.83)	PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL214200	0.96	PTGES (0.83)	PTGESCA9SLC10A1NT5EPTPN1
Water SCHEMBL8584387	0.96	PTGES (0.82)	PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL13855630	0.90	PTGES (0.72)	PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL5454249	0.89	NT5E (0.75)	PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL13573803	0.89	NT5E (0.75)	PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL5956476	0.89	PTGES (0.74)	PTGESCA9SLC10A1NT5EPTPN1

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
WO-1998043936-A2	IMPROVED METHODS OF MANUFACTURING BETULINIC ACID	THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US)	1998-10-08	—	—	WO	disclosed
US-5804575-A	Methods of manufacturing betulinic acid	THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US)	1998-09-08	—	—	US	disclosed