SCHEMBL19201310

CCCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=Cc6c(cnn6-c6cccc(OCCCCCCCCCP(=O)(O)OOCC(=O)[C@@]78OC(CCC)O[C@@H]7C[C@H]7[C@@H]9CCC%10=Cc%11c(cnn%11-c%11ccc(OCCCCP(=O)(O)O)cc%11)C[C@]%10(C)[C@H]9[C@@H](O)C[C@@]78C)c6)C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1

nearest known ligand 0.86

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	NR3C1	P04150	15/20	0.86

▸	CYP3A4	P08684	3/20	0.43

▸	HIF1A	Q16665	2/20	0.43

▸	ABCC3	O15438	1/20	0.43

▸	ABCC4	O15439	1/20	0.43

▸	ABCB11	O95342	1/20	0.43

▸	IL5	P05113	1/20	0.43

▸	PGR	P06401	1/20	0.43

▸	NR3C2	P08235	1/20	0.43

▸	AR	P10275	1/20	0.43

▸	CHRM1	P11229	1/20	0.43

▸	MMP9	P14780	1/20	0.43

▸	NFKB1	P19838	1/20	0.43

▸	THPO	P40225	1/20	0.43

▸	SMN1; SMN2	Q16637	1/20	0.43

▸	HSD17B10	Q99714	1/20	0.43

▸	LMNA	P02545	1/20	0.43

▸	BLM	P54132	1/20	0.43

▸	PMP22	Q01453	1/20	0.43

▸	NPSR1	Q6W5P4	1/20	0.43

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
SCHEMBL19201625	0.93	NR3C1 (1.00)	NR3C1CYP3A4HIF1AABCC3ABCC4
SCHEMBL22808554	0.93	NR3C1 (1.00)	NR3C1CYP3A4HIF1AABCC3ABCC4
SCHEMBL19201315	0.92	NR3C1 (1.00)	NR3C1CYP3A4HIF1AABCC3ABCC4
SCHEMBL19201615	0.91	NR3C1 (1.00)	NR3C1CYP3A4HIF1AABCC3ABCC4
SCHEMBL19201614	0.91	NR3C1 (1.00)	NR3C1CYP3A4HIF1AABCC3ABCC4
SCHEMBL19201305	0.91	NR3C1 (1.00)	NR3C1CYP3A4HIF1AABCC3ABCC4
SCHEMBL22808555	0.87	NR3C1 (0.86)	NR3C1
SCHEMBL20691909	0.86	NR3C1 (0.86)	NR3C1
SCHEMBL13654483	0.82	NR3C1 (0.78)	NR3C1
SCHEMBL19201627	0.82	NR3C1 (0.75)	NR3C1CYP3A4ABCC3ABCC4ABCB11

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-2017132103-A2	PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS	MERCK SHARP & DOHME CORP. (US)	2017-08-03	—	—	WO	disclosed