SCHEMBL1036310

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](OC[C@H](C)O[N+](=O)[O-])[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	AXL	P30530	1/20	0.36

▸	MERTK	Q12866	1/20	0.36

▸	BMP1	P13497	1/20	0.33

▸	THRB	P10828	4/20	0.33

▸	TP53	P04637	2/20	0.33

▸	MAPT	P10636	2/20	0.32

▸	REN	P00797	1/20	0.32

▸	RORC	P51449	4/20	0.31

▸	ALDH1A1	P00352	1/20	0.31

▸	CYP3A4	P08684	1/20	0.31

▸	CYP2D6	P10635	1/20	0.31

▸	CYP2C19	P33261	1/20	0.31

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
SCHEMBL1039424	0.94	AXL (0.36)	AXLMERTKBMP1THRBTP53
SCHEMBL1038472	0.92	REN (0.34)	THRBMAPTRENRORCALDH1A1
SCHEMBL3946734	0.92	REN (0.34)	THRBMAPTRENRORCALDH1A1
SCHEMBL3946739	0.92	REN (0.34)	THRBMAPTRENRORCALDH1A1
SCHEMBL1040042	0.91	AXL (0.38)	AXLMERTKBMP1THRBTP53
SCHEMBL1037887	0.91	AXL (0.36)	AXLMERTKBMP1THRBTP53
SCHEMBL1039532	0.91	AXL (0.36)	AXLMERTKBMP1THRBTP53
SCHEMBL1039721	0.90	AXL (0.37)	AXLMERTKBMP1THRBTP53
SCHEMBL1039349	0.90	AXL (0.39)	AXLMERTKBMP1THRBTP53
SCHEMBL1040564	0.89	REN (0.32)	AXLMERTKRENRORC

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-2049514-B1	NITRATE ESTERS OF PIPERIDINES	NOVARTIS AG (CH)	2011-01-26	—	—	EP	disclosed