SCHEMBL19976678

CC1(C)CC[C@]2(C(=O)N[C@H]3OC(CO)[C@@H](O)C(O)C3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]43C)C2C1

nearest known ligand 0.65

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	8/20	0.65

▸	F3	P13726	6/20	0.65

▸	PTPN2	P17706	2/20	0.65

▸	PNLIP	P16233	1/20	0.65

▸	NOS2	P35228	1/20	0.65

▸	CES2	O00748	1/20	0.58

▸	CES1	P23141	1/20	0.58

▸	EGLN2	Q96KS0	3/20	0.56

▸	EGLN1	Q9GZT9	3/20	0.56

▸	EGLN3	Q9H6Z9	3/20	0.56

▸	P4HTM	Q9NXG6	3/20	0.56

▸	NFKB1	P19838	1/20	0.54

▸	NFKB2	Q00653	1/20	0.54

▸	RELA	Q04206	1/20	0.54

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
SCHEMBL17133031	1.00	PTPN1 (0.65)	PTPN1F3PTPN2PNLIPNOS2
SCHEMBL17133034	0.90	PTPN1 (0.60)	PTPN1F3PTPN2PNLIPNOS2
SCHEMBL19976677	0.89	F3 (0.73)	PTPN1F3PTPN2CES1EGLN2
SCHEMBL17030493	0.89	F3 (0.73)	PTPN1F3PTPN2CES1EGLN2
SCHEMBL19976668	0.89	F3 (0.73)	PTPN1F3PTPN2CES1EGLN2
SCHEMBL17133043	0.89	F3 (0.73)	PTPN1F3PTPN2CES1EGLN2
SCHEMBL19976704	0.88	F3 (0.59)	PTPN1F3PTPN2PNLIPNOS2
SCHEMBL17133062	0.88	F3 (0.53)	PTPN1F3PTPN2PNLIPNOS2
SCHEMBL24190825	0.87	F3 (0.68)	PTPN1F3PTPN2PNLIPNOS2
SCHEMBL24190882	0.87	F3 (0.68)	PTPN1F3PTPN2PNLIPNOS2

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-9920088-B2	Triterpene derivative and its anti-influenza use	University of Macao (CN)	2018-03-20	—	—	US	disclosed