SCHEMBL8207009

CC(=O)N(NC(=O)OCc1ccccc1)c1cc(C(=O)N2CCNCCN(C(=O)c3cc(N(NC(=O)OCc4ccccc4)C(C)=O)cc(N(NC(=O)OCc4ccccc4)C(C)=O)c3)CCN(C(=O)c3cc(N(NC(=O)OCc4ccccc4)C(C)=O)cc(N(NC(=O)OCc4ccccc4)C(C)=O)c3)CC2)cc(N(NC(=O)OCc2ccccc2)C(C)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	SIGMAR1	Q99720	1/20	0.43

▸	PARP1	P09874	2/20	0.43

▸	SMN1; SMN2	Q16637	1/20	0.40

▸	GAA	P10253	1/20	0.39

▸	P2RX7	Q99572	2/20	0.39

▸	ENPP2	Q13822	1/20	0.39

▸	ATXN2	Q99700	1/20	0.39

▸	TGM2	P21980	2/20	0.38

▸	SLC6A7	Q99884	1/20	0.37

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
SCHEMBL8209132	0.84	PLA2G2A (0.40)	SMN1; SMN2
SCHEMBL7683498	0.74	KDM1A (0.49)	SIGMAR1PARP1GAATGM2
SCHEMBL7683566	0.70	GAA (0.54)	SIGMAR1SMN1; SMN2GAA
SCHEMBL4588381	0.69	MEN1 (0.64)	SIGMAR1SMN1; SMN2GAA
SCHEMBL3970461	0.69	MEN1 (0.64)	SIGMAR1SMN1; SMN2GAA
SCHEMBL5873672	0.69	GAA (0.55)	SIGMAR1SMN1; SMN2GAA
SCHEMBL28406248	0.69	PARP1 (0.59)	SIGMAR1PARP1SMN1; SMN2GAA
SCHEMBL31329561	0.68	MEN1 (0.62)	SIGMAR1SMN1; SMN2GAA
SCHEMBL3778880	0.68	MEN1 (0.66)	SIGMAR1SMN1; SMN2
SCHEMBL17272	0.68	MEN1 (0.66)	SIGMAR1SMN1; SMN2

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-6083479-A	Contrast media for infarction and necrosis imaging	SCHERING AKTIENGESELLSCHAFT (DE)	2000-07-04	—	—	US	disclosed