SCHEMBL18596352

CCCOCn1c(C2CCCN2C(=O)OC(C)(C)C)nc2cc(-c3ccc(-c4cc5nc(C6CCCN6C(=O)OC(C)(C)C)n(COCC[Si](C)(C)C)c5cc4F)o3)c(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	TSHR	P16473	7/20	0.37

▸	ALDH1A1	P00352	6/20	0.37

▸	LMNA	P02545	5/20	0.37

▸	MEN1	O00255	3/20	0.36

▸	KMT2A	Q03164	3/20	0.36

▸	L3MBTL1	Q9Y468	2/20	0.36

▸	TP53	P04637	2/20	0.35

▸	MAPT	P10636	2/20	0.35

▸	NPSR1	Q6W5P4	2/20	0.35

▸	GLA	P06280	1/20	0.35

▸	HTT	P42858	1/20	0.34

▸	GAA	P10253	1/20	0.34

▸	GPR119	Q8TDV5	2/20	0.33

▸	HCRTR1	O43613	1/20	0.33

▸	HCRTR2	O43614	1/20	0.33

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
SCHEMBL2756462	0.97	TSHR (0.38)	TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL12016860	0.97	TSHR (0.38)	TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL12705306	0.97	TSHR (0.38)	TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL18930259	0.92	TSHR (0.35)	TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL18930258	0.92	TSHR (0.35)	TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL18925912	0.92	TSHR (0.35)	TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL18596353	0.88	TSHR (0.37)	TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL30554884	0.88	TP53 (0.39)	TP53MAPTHCRTR1HCRTR2
SCHEMBL240501	0.85	TSHR (0.36)	TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL240500	0.85	TSHR (0.36)	TSHRALDH1A1LMNAMEN1KMT2A

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-9586978-B2	Anti-viral compounds	ABBVIE INC. (US)	2017-03-07	—	—	US	disclosed