SCHEMBL8300058

O=C(Oc1ccc(OC(=O)c2cccc(B(O)O)c2)c(OC(=O)c2cc(B(O)O)cc([N+](=O)[O-])c2)c1)c1cc(B(O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ALOX5	P09917	7/20	0.50

▸	PTGES	O14684	1/20	0.49

▸	MAPT	P10636	5/20	0.46

▸	ALDH1A1	P00352	2/20	0.46

▸	KDM4E	B2RXH2	4/20	0.43

▸	TDP1	Q9NUW8	3/20	0.43

▸	GAA	P10253	3/20	0.43

▸	L3MBTL1	Q9Y468	2/20	0.43

▸	NPSR1	Q6W5P4	1/20	0.43

▸	LMNA	P02545	1/20	0.41

▸	ALOX12	P18054	1/20	0.41

▸	POLB	P06746	1/20	0.41

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
SCHEMBL4626136	0.87	ALOX5 (0.61)	ALOX5PTGESMAPTALDH1A1KDM4E
SCHEMBL4625346	0.85	ALOX5 (0.64)	ALOX5PTGESMAPTALDH1A1KDM4E
SCHEMBL4625153	0.84	ALOX5 (0.64)	ALOX5PTGESMAPTALDH1A1KDM4E
SCHEMBL4625149	0.83	ALOX5 (0.64)	ALOX5PTGESMAPTALDH1A1KDM4E
SCHEMBL4654782	0.83	ALOX5 (0.49)	ALOX5PTGESMAPTALDH1A1KDM4E
SCHEMBL4626127	0.83	ALOX5 (0.61)	ALOX5PTGESMAPTALDH1A1TDP1
SCHEMBL8298566	0.81	ALOX5 (0.64)	ALOX5PTGESMAPTALDH1A1KDM4E
SCHEMBL4625145	0.81	ALOX5 (0.61)	ALOX5PTGESMAPTALDH1A1GAA
SCHEMBL4625225	0.81	ALOX5 (0.58)	ALOX5PTGESMAPTALDH1A1KDM4E
SCHEMBL8300138	0.80	NR1H4 (0.55)	ALOX5PTGESMAPTALDH1A1KDM4E

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
WO-2005041904-A2	INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF	FULCRUM PHARMACEUTICALS, INC. (US)	2005-05-12	—	—	WO	disclosed