SCHEMBL691205

CC(C)(C)OC(=O)ON1CCC[C@H]1c1ncc(-c2cnc(-c3ncc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)n4COCC[Si](C)(C)C)cn3)nc2)n1COCC[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	5/20	0.35

▸	TSHR	P16473	4/20	0.33

▸	HPGDS	O60760	3/20	0.33

▸	LMNA	P02545	3/20	0.33

▸	MEN1	O00255	2/20	0.33

▸	KMT2A	Q03164	2/20	0.33

▸	L3MBTL1	Q9Y468	2/20	0.33

▸	CHEK2	O96017	1/20	0.33

▸	GPR119	Q8TDV5	2/20	0.32

▸	KLK7	P49862	1/20	0.32

▸	NPC1	O15118	1/20	0.32

▸	KLKB1	P03952	1/20	0.32

▸	DGAT1	O75907	1/20	0.32

▸	TP53	P04637	1/20	0.32

▸	GLA	P06280	1/20	0.32

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
SCHEMBL690316	0.93	ALDH1A1 (0.39)	ALDH1A1TSHRHPGDSLMNAMEN1
SCHEMBL690876	0.90	HPGDS (0.44)	HPGDS
SCHEMBL9281762	0.87	ALDH1A1 (0.41)	ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL690647	0.86	ALDH1A1 (0.38)	ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL690646	0.86	ALDH1A1 (0.38)	ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL1887118	0.86	CHEK2 (0.38)	ALDH1A1TSHRHPGDSLMNAMEN1
SCHEMBL933654	0.83	CHEK2 (0.36)	ALDH1A1TSHRHPGDSLMNAMEN1
SCHEMBL932607	0.83	CHEK2 (0.36)	ALDH1A1TSHRHPGDSLMNAMEN1
SCHEMBL9213899	0.83	KMT2A (0.43)	ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL16511896	0.83	KMT2A (0.38)	ALDH1A1TSHRLMNAMEN1KMT2A

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
EP-2049116-B1	HEPATITIS C VIRUS INHIBITORS	BRISTOL MYERS SQUIBB CO (US)	2012-02-29	—	—	EP	claimed