SCHEMBL9511501

CCCCCCCCCCOc1ccc(C(=O)N[C@H]2[C@H](OCc3ccccc3)O[C@@H]3COC(C)(C)O[C@H]3[C@@H]2OC(=O)c2ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c2)cc1OCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	L3MBTL1	Q9Y468	1/20	0.40

▸	CNR2	P34972	4/20	0.37

▸	SMPD1	P17405	7/20	0.36

▸	BCHE	P06276	1/20	0.35

▸	BRD4	O60885	2/20	0.34

▸	HIF1A	Q16665	1/20	0.34

▸	NTSR1	P30989	1/20	0.34

▸	ATM	Q13315	1/20	0.34

▸	HDAC3	O15379	1/20	0.33

▸	HDAC1	Q13547	1/20	0.33

▸	HDAC2	Q92769	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
SCHEMBL8435577	0.93	L3MBTL1 (0.39)	L3MBTL1CNR2SMPD1BCHEBRD4
SCHEMBL8431463	0.90	CNR2 (0.39)	L3MBTL1CNR2SMPD1BRD4HIF1A
SCHEMBL10418864	0.80	CA1 (0.42)	CNR2SMPD1
SCHEMBL10418866	0.80	CA1 (0.42)	CNR2SMPD1
SCHEMBL8434091	0.79	L3MBTL1 (0.37)	L3MBTL1CNR2HDAC1HDAC2
SCHEMBL8433658	0.79	SMPD1 (0.44)	CNR2SMPD1HDAC3HDAC1HDAC2
SCHEMBL10418920	0.75	TLR4 (0.41)	L3MBTL1CNR2BCHE
SCHEMBL8436204	0.74	TLR4 (0.42)	L3MBTL1BCHE
SCHEMBL8436202	0.74	TLR4 (0.42)	L3MBTL1BCHE
SCHEMBL8431552	0.74	L3MBTL1 (0.42)	L3MBTL1

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-0288888-B1	Novel glucopyranose derivatives	ONO PHARMACEUTICAL CO (JP)	1993-12-08	—	—	EP	disclosed