SCHEMBL15317850

CO[C@H]1C[C@@H](C)C/C(C)=C/CC(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C

nearest known ligand 0.78

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	FKBP1A	P62942	18/20	0.78

▸	FKBP4	Q02790	2/20	0.78

▸	MEN1	O00255	1/20	0.78

▸	LMNA	P02545	1/20	0.78

▸	MAPT	P10636	1/20	0.78

▸	KMT2A	Q03164	1/20	0.78

▸	THRB	P10828	1/20	0.78

▸	ABCB11	O95342	2/20	0.76

▸	ADORA3	P0DMS8	2/20	0.76

▸	MLNR	O43193	1/20	0.76

▸	NR1I2	O75469	1/20	0.76

▸	CYP3A4	P08684	1/20	0.76

▸	ADRA2A	P08913	1/20	0.76

▸	ADRB3	P13945	1/20	0.76

▸	CYP3A5	P20815	1/20	0.76

▸	TBXA2R	P21731	1/20	0.76

▸	CYP3A7	P24462	1/20	0.76

▸	HTR2A	P28223	1/20	0.76

▸	HTR2B	P41595	1/20	0.76

▸	MTOR	P42345	1/20	0.76

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
SCHEMBL6843433	1.00	FKBP1A (0.78)	FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL6843435	1.00	FKBP1A (0.78)	FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL6843434	1.00	FKBP1A (0.78)	FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL16907133	0.94	FKBP1A (0.70)	FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL6394830	0.94	FKBP1A (0.70)	FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL6849593	0.94	FKBP1A (0.70)	FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL20793518	0.90	FKBP1A (0.68)	FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL13900961	0.90	FKBP1A (0.86)	FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL6942031	0.90	FKBP1A (0.86)	FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL13817839	0.90	FKBP1A (0.86)	FKBP1AFKBP4MEN1LMNAMAPT

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-20130273522-A1	NMR SYSTEMS AND METHODS FOR THE RAPID DETECTION OF ANALYTES	T2 BIOSYSTEMS, INC.	2013-10-17	—	—	US	disclosed