SCHEMBL8865339

CCOC(=O)CCc1cccc(-c2c3nc(c(-c4cccc(CCC(=O)OCC)c4)c4cc(CC(=O)[O-])c([nH]4)c(-c4cccc(CCC(=O)OCC)c4)c4nc(c(-c5cccc(CCC(=O)OCC)c5)c5ccc2[nH]5)C=C4)C=C3)c1.CCOC(=O)CCc1cccc(-c2c3nc(c(-c4cccc(CCC(=O)OCC)c4)c4cc(CC(=O)[O-])c([nH]4)c(-c4cccc(CCC(=O)OCC)c4)c4nc(c(-c5cccc(CCC(=O)OCC)c5)c5ccc2[nH]5)C=C4)C=C3)c1.CCOC(=O)CCc1cccc(-c2c3nc(c(-c4cccc(CCC(=O)OCC)c4)c4cc(CC(=O)[O-])c([nH]4)c(-c4cccc(CCC(=O)OCC)c4)c4nc(c(-c5cccc(CCC(=O)OCC)c5)c5ccc2[nH]5)C=C4)C=C3)c1.[Mn+3]

nearest known ligand 0.40

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	SYK	P43405	5/20	0.40

▸	DGAT2	Q96PD7	1/20	0.39

▸	PDE3B	Q13370	1/20	0.39

▸	PDE3A	Q14432	1/20	0.39

▸	P2RY12	Q9H244	1/20	0.39

▸	MAPT	P10636	1/20	0.35

▸	ABCG2	Q9UNQ0	1/20	0.34

▸	KDM4E	B2RXH2	1/20	0.34

▸	ALDH1A1	P00352	1/20	0.34

▸	LMNA	P02545	1/20	0.34

▸	HSD17B10	Q99714	1/20	0.34

▸	CYCS	P99999	3/20	0.34

▸	PRMT5	O14744	1/20	0.33

▸	FFAR1	O14842	2/20	0.32

▸	TOP1	P11387	1/20	0.32

▸	CYP4F2	P78329	1/20	0.32

▸	CYP4A11	Q02928	1/20	0.32

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
SCHEMBL8865842	0.87	PDE3B (0.48)	SYKDGAT2PDE3BPDE3AP2RY12
SCHEMBL8865213	0.85	ABCG2 (0.39)	SYKDGAT2ABCG2CYCSTOP1
SCHEMBL8907994	0.79	TOP1 (0.45)	ABCG2CYCSFFAR1TOP1
Hydrochloric Acid SCHEMBL8865123	0.78	TOP1 (0.44)	ABCG2CYCSFFAR1TOP1
SCHEMBL8908306	0.78	TOP1 (0.48)	ABCG2CYCSTOP1
Hydrochloric Acid SCHEMBL8865260	0.77	TOP1 (0.47)	ABCG2CYCSTOP1
SCHEMBL8865603	0.76	MAPT (0.37)	PDE3BPDE3AP2RY12MAPTABCG2
SCHEMBL8865560	0.76	DAGLA (0.36)	MAPTALDH1A1
SCHEMBL8865785	0.74	MAPT (0.37)	PDE3BPDE3AP2RY12MAPTABCG2
SCHEMBL8908003	0.71	FFAR1 (0.51)	CYCSFFAR1TOP1

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-5674467-A	USED IN NMR DIAGNOSIS, RADIODIAGNOSIS OR RADIOTHERAPY	INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE)	1997-10-07	—	—	US	disclosed