SCHEMBL15919331

COC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(/C=C/C[C@@H]2O[C@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C\C#N)OC)[C@H](OP=O)C3(C)C)co1)N(C)C

nearest known ligand 0.91

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	2/20	0.91

▸	PPP6C	O00743	1/20	0.91

▸	PPP1CC	P36873	1/20	0.91

▸	HTT	P42858	1/20	0.91

▸	PPP5C	P53041	1/20	0.91

▸	PPP2CA	P67775	1/20	0.91

▸	PPP2R5A	Q15172	1/20	0.91

▸	SMN1; SMN2	Q16637	1/20	0.91

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
Calyculin A SCHEMBL29406338	0.95	PTPN1 (1.00)	PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin A SCHEMBL21408822	0.95	PTPN1 (1.00)	PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin A SCHEMBL4295478	0.95	PTPN1 (1.00)	PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin A SCHEMBL4299349	0.95	PTPN1 (1.00)	PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin B SCHEMBL29809573	0.95	PTPN1 (1.00)	PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin A SCHEMBL82924	0.95	PTPN1 (1.00)	PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin A SCHEMBL82925	0.95	PTPN1 (1.00)	PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin SCHEMBL1443597	0.90	PTPN1 (1.00)	PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin SCHEMBL4298101	0.90	PTPN1 (1.00)	PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin SCHEMBL29536011	0.90	PTPN1 (1.00)	PTPN1PPP6CPPP1CCHTTPPP5C

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
WO-2014117021-A2	METHODS, COMPOSITIONS, KITS, AND SYSTEMS FOR SELECTIVE ENRICHMENT OF TARGET CELLS	Xcell Biosciences, Inc. (US)	2014-07-31	—	—	WO	disclosed