SCHEMBL18084232

CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NC[C@H](O)CO)c1I

nearest known ligand 0.83

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	LMNA	P02545	2/20	0.83

▸	CYP2C19	P33261	1/20	0.83

▸	HIF1A	Q16665	1/20	0.83

▸	EGFR	P00533	1/20	0.32

▸	SRC	P12931	1/20	0.32

▸	MAP2K1	Q02750	3/20	0.31

▸	MAP2K2	P36507	1/20	0.31

▸	PRKCZ	Q05513	1/20	0.31

▸	IARS2	Q9NSE4	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
SCHEMBL14879057	0.92	LMNA (0.70)	LMNACYP2C19HIF1AEGFRSRC
Iodixanol SCHEMBL22645199	0.92	LMNA (0.97)	LMNACYP2C19HIF1AEGFRSRC
Iodixanol SCHEMBL8845042	0.91	LMNA (1.00)	LMNACYP2C19HIF1AEGFRSRC
Iohexol SCHEMBL31722694	0.91	CYP2C19 (1.00)	LMNACYP2C19HIF1AEGFRSRC
Iohexol SCHEMBL8844889	0.91	CYP2C19 (1.00)	LMNACYP2C19HIF1AEGFRSRC
Iohexol SCHEMBL37920	0.91	CYP2C19 (1.00)	LMNACYP2C19HIF1AEGFRSRC
Iohexol SCHEMBL26501	0.91	CYP2C19 (1.00)	LMNACYP2C19HIF1AEGFRSRC
Iodixanol SCHEMBL21546	0.91	LMNA (1.00)	LMNACYP2C19HIF1AEGFRSRC
Iodixanol SCHEMBL37712	0.91	LMNA (1.00)	LMNACYP2C19HIF1AEGFRSRC
Iohexol SCHEMBL8711982	0.90	CYP2C19 (0.97)	LMNACYP2C19HIF1AEGFRSRC

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-2504298-B1	PREPARATION AND PURIFICATION OF IODIXANOL	IMAX DIAGNOSTIC IMAGING HOLDING LTD (CN)	2016-09-21	—	—	EP	disclosed