SCHEMBL8998271

O=C(OC[C@H]1O[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.84

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NT5E	P21589	1/20	0.84

▸	BCHE	P06276	2/20	0.47

▸	RAB9A	P51151	2/20	0.46

▸	NPC1	O15118	1/20	0.46

▸	ALDH1A1	P00352	1/20	0.46

▸	PTPN1	P18031	3/20	0.45

▸	MEN1	O00255	2/20	0.43

▸	KMT2A	Q03164	2/20	0.43

▸	ALOX5	P09917	1/20	0.43

▸	FOLH1	Q04609	1/20	0.42

▸	MAPT	P10636	1/20	0.41

▸	PTPN2	P17706	1/20	0.41

▸	CDC25B	P30305	1/20	0.40

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
SCHEMBL8998269	1.00	NT5E (0.84)	NT5EBCHERAB9ANPC1ALDH1A1
SCHEMBL9164604	0.92	NT5E (0.98)	NT5EBCHERAB9ANPC1PTPN1
SCHEMBL8928920	0.92	NT5E (0.98)	NT5EBCHERAB9ANPC1PTPN1
SCHEMBL8928824	0.92	NT5E (0.98)	NT5EBCHERAB9ANPC1PTPN1
SCHEMBL8184231	0.91	NT5E (1.00)	NT5EBCHERAB9ANPC1PTPN1
SCHEMBL749253	0.91	NT5E (1.00)	NT5EBCHERAB9ANPC1PTPN1
SCHEMBL6313490	0.91	NT5E (1.00)	NT5EBCHERAB9ANPC1PTPN1
SCHEMBL6313488	0.91	NT5E (1.00)	NT5EBCHERAB9ANPC1PTPN1
SCHEMBL8184232	0.91	NT5E (1.00)	NT5EBCHERAB9ANPC1PTPN1
SCHEMBL11418144	0.89	NT5E (0.93)	NT5EBCHERAB9ANPC1PTPN1

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-5498527-A	Phosphorylcholine-containing glyceroglycolipid	UBE INDUSTRIES, LTD. (JP)	1996-03-12	—	—	US	disclosed